smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CSc1ccc([N+](=O)[O-])c(C(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@@H]32)c1 ZINC000121191132 823135682 /nfs/dbraw/zinc/13/56/82/823135682.db2.gz LUUJXESRQJYYMI-MJGOQNOKSA-N 0 3 397.500 4.073 20 5 GIBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H](c3ccco3)N3CCCC3)o2)cc1 ZINC000409576044 823252957 /nfs/dbraw/zinc/25/29/57/823252957.db2.gz MCEVDIBSSYNGIM-LJQANCHMSA-N 0 3 381.432 4.375 20 5 GIBDHN CC[C@H](N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccc(Cl)cc1 ZINC000011047047 818047805 /nfs/dbraw/zinc/04/78/05/818047805.db2.gz UNWJSTURQQBKEP-LRDDRELGSA-N 0 3 391.855 4.325 20 5 GIBDHN C[C@@H](NCc1cccc(C(N)=O)c1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000122199494 823320564 /nfs/dbraw/zinc/32/05/64/823320564.db2.gz RETLMQGBSUSIQR-CYBMUJFWSA-N 0 3 381.457 4.273 20 5 GIBDHN CC1CCN([C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)c2cccs2)CC1 ZINC000018180172 818554520 /nfs/dbraw/zinc/55/45/20/818554520.db2.gz QFVZTVCXPXRAEO-KRWDZBQOSA-N 0 3 388.493 4.251 20 5 GIBDHN CCCN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000021819958 818740015 /nfs/dbraw/zinc/74/00/15/818740015.db2.gz ZWQQTJXWDAGPGH-INIZCTEOSA-N 0 3 392.253 4.037 20 5 GIBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[C@](F)(c4ccccc4)C3)o2)c1 ZINC000573340979 823481864 /nfs/dbraw/zinc/48/18/64/823481864.db2.gz MNXFFBNUWRIPJC-OAQYLSRUSA-N 0 3 381.407 4.363 20 5 GIBDHN CC[C@H]1c2ccsc2CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000030224118 820589857 /nfs/dbraw/zinc/58/98/57/820589857.db2.gz AWYBIGFXVUEOHR-INIZCTEOSA-N 0 3 389.477 4.003 20 5 GIBDHN CC(C)c1ccc(C(=O)N(Cc2ccccc2)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000190025616 823527743 /nfs/dbraw/zinc/52/77/43/823527743.db2.gz ILFZPWXFOQMSBK-UHFFFAOYSA-N 0 3 395.503 4.455 20 5 GIBDHN O=C(NC[C@H](c1cccs1)N1CCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000043342954 821395643 /nfs/dbraw/zinc/39/56/43/821395643.db2.gz CUXUDVLIXYKRKH-OAHLLOKOSA-N 0 3 394.884 4.268 20 5 GIBDHN CSc1ccc([C@@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)N(C)C)cc1 ZINC000454140961 822432785 /nfs/dbraw/zinc/43/27/85/822432785.db2.gz FVNYYYLULUDJPU-GOSISDBHSA-N 0 3 388.493 4.050 20 5 GIBDHN COc1ccc(F)cc1[C@@H](C)NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000179926406 822578341 /nfs/dbraw/zinc/57/83/41/822578341.db2.gz DMRFNUOKVQFSOL-CYBMUJFWSA-N 0 3 385.395 4.291 20 5 GIBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1cc2ccccc2s1 ZINC000184364588 822622668 /nfs/dbraw/zinc/62/26/68/822622668.db2.gz FMGXRVTYRPNRDR-LBPRGKRZSA-N 0 3 385.445 4.107 20 5 GIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](C)c1cc2ccccc2s1 ZINC000184383504 822625794 /nfs/dbraw/zinc/62/57/94/822625794.db2.gz HFNMHPJAUHPDAM-STQMWFEESA-N 0 3 399.472 4.496 20 5 GIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](C)c1cc2ccccc2s1 ZINC000184383559 822625834 /nfs/dbraw/zinc/62/58/34/822625834.db2.gz HFNMHPJAUHPDAM-CHWSQXEVSA-N 0 3 399.472 4.496 20 5 GIBDHN O=[N+]([O-])c1cccc([C@@H](NC[C@@H]2CCN(CC(F)(F)F)C2)c2ccccc2)c1 ZINC000180155003 822628470 /nfs/dbraw/zinc/62/84/70/822628470.db2.gz XVWXTNNYWBIJJX-KXBFYZLASA-N 0 3 393.409 4.158 20 5 GIBDHN Cc1c([C@@H](C)NCc2ccc(C(=O)N3CCCCC3)cc2)cccc1[N+](=O)[O-] ZINC000180407932 822676684 /nfs/dbraw/zinc/67/66/84/822676684.db2.gz JKDNAKWMBWIMAF-QGZVFWFLSA-N 0 3 381.476 4.380 20 5 GIBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@@]4(C3)OCc3ccccc34)o2)cc1 ZINC000186443553 822896603 /nfs/dbraw/zinc/89/66/03/822896603.db2.gz NOJUUNHZBWADOB-QFIPXVFZSA-N 0 3 376.412 4.486 20 5 GIBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000186633550 822926729 /nfs/dbraw/zinc/92/67/29/822926729.db2.gz JQFZUZOPQMUZAW-YCRPNKLZSA-N 0 3 382.439 4.168 20 5 GIBDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000187324379 823043684 /nfs/dbraw/zinc/04/36/84/823043684.db2.gz RARFERPVRFKVNV-QGZVFWFLSA-N 0 3 389.883 4.135 20 5 GIBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000124612451 823611065 /nfs/dbraw/zinc/61/10/65/823611065.db2.gz HHBSLPWRMJHOJH-CEXWTWQISA-N 0 3 397.519 4.363 20 5 GIBDHN CC(C)[C@@H](C)NC(=O)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000126790051 823952130 /nfs/dbraw/zinc/95/21/30/823952130.db2.gz SGIKMYJQGLERHN-MRXNPFEDSA-N 0 3 399.491 4.228 20 5 GIBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCc3cccnc3-n3ccnc3)s2)cc1 ZINC000171049717 824047387 /nfs/dbraw/zinc/04/73/87/824047387.db2.gz RUBMNTNDMBQBPF-UHFFFAOYSA-N 0 3 391.456 4.194 20 5 GIBDHN c1cncc(CN2CC[C@H]3[C@@H]2CCN3c2ccc3ccc4cccnc4c3n2)c1 ZINC001164730503 720355873 /nfs/dbraw/zinc/35/58/73/720355873.db2.gz ZTUAZIUJYYCRDA-SFTDATJTSA-N 0 3 381.483 4.031 20 5 GIBDHN C[C@@H](NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ncc(Br)s1 ZINC000571084679 823129538 /nfs/dbraw/zinc/12/95/38/823129538.db2.gz XVKFWALMQISIQI-SECBINFHSA-N 0 3 395.282 4.188 20 5 GIBDHN O=C(CC1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1)N1CCCC1 ZINC000121521978 823199399 /nfs/dbraw/zinc/19/93/99/823199399.db2.gz FOESXPHQMKFNRJ-UHFFFAOYSA-N 0 3 397.475 4.079 20 5 GIBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000571845098 823244560 /nfs/dbraw/zinc/24/45/60/823244560.db2.gz UMBIUNYDVVTSOB-KRWDZBQOSA-N 0 3 396.491 4.286 20 5 GIBDHN CCCN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000021819956 818739872 /nfs/dbraw/zinc/73/98/72/818739872.db2.gz ZWQQTJXWDAGPGH-MRXNPFEDSA-N 0 3 392.253 4.037 20 5 GIBDHN CC(C)N1CCC(N(C)c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000024208317 819034153 /nfs/dbraw/zinc/03/41/53/819034153.db2.gz PHTIZFWHIIFGMX-UHFFFAOYSA-N 0 3 381.476 4.135 20 5 GIBDHN C[C@@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Br)cn1 ZINC000573056430 823441591 /nfs/dbraw/zinc/44/15/91/823441591.db2.gz DONYGJBKWWLWRR-SNVBAGLBSA-N 0 3 384.661 4.299 20 5 GIBDHN CCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)Cc1ccc(Cl)s1 ZINC000026250447 820074860 /nfs/dbraw/zinc/07/48/60/820074860.db2.gz KCTGYSXFTNWVEN-UHFFFAOYSA-N 0 3 397.884 4.169 20 5 GIBDHN CC[C@@H]1c2ccsc2CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000030224119 820589709 /nfs/dbraw/zinc/58/97/09/820589709.db2.gz AWYBIGFXVUEOHR-MRXNPFEDSA-N 0 3 389.477 4.003 20 5 GIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](C)c1cccc2ccccc21 ZINC000043303419 821388537 /nfs/dbraw/zinc/38/85/37/821388537.db2.gz GIWURZJCACGEAD-HUUCEWRRSA-N 0 3 393.443 4.434 20 5 GIBDHN CCS(=O)(=O)Nc1ccc([C@@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000181234489 821711144 /nfs/dbraw/zinc/71/11/44/821711144.db2.gz RJZQHHXFQBAWRK-CABCVRRESA-N 0 3 391.493 4.077 20 5 GIBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000047262091 822559624 /nfs/dbraw/zinc/55/96/24/822559624.db2.gz PQVUIXUONFXIOP-HIFRSBDPSA-N 0 3 388.855 4.055 20 5 GIBDHN O=C1CCCCCN1CCCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000179990720 822592001 /nfs/dbraw/zinc/59/20/01/822592001.db2.gz FBDYLKSRZOALDH-JOCHJYFZSA-N 0 3 381.476 4.067 20 5 GIBDHN Cc1cnc([C@H](NCCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C2CC2)s1 ZINC000185297222 822761508 /nfs/dbraw/zinc/76/15/08/822761508.db2.gz NYHRFEIOALZNLP-GOSISDBHSA-N 0 3 384.461 4.298 20 5 GIBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000123870479 823547872 /nfs/dbraw/zinc/54/78/72/823547872.db2.gz AWVCLMANMYAYFQ-UHFFFAOYSA-N 0 3 399.516 4.101 20 5 GIBDHN COc1ccc(Cl)cc1NC(=O)CCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000411756290 823602753 /nfs/dbraw/zinc/60/27/53/823602753.db2.gz IPSJRCWYBQIKNA-UHFFFAOYSA-N 0 3 391.855 4.110 20 5 GIBDHN CC(C)c1ccc(CN[C@@H](c2ccccc2)C2(CO)CCOCC2)cc1[N+](=O)[O-] ZINC000414537725 824005464 /nfs/dbraw/zinc/00/54/64/824005464.db2.gz LMPYUKOPAOZKSR-QFIPXVFZSA-N 0 3 398.503 4.338 20 5 GIBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000575887565 824020260 /nfs/dbraw/zinc/02/02/60/824020260.db2.gz AWNSWQHIPKCZCK-CQSZACIVSA-N 0 3 396.896 4.071 20 5 GIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H](c1ccc(F)cc1)C(C)C ZINC000011101238 818051994 /nfs/dbraw/zinc/05/19/94/818051994.db2.gz ATDACKOINAQPTR-DJJJIMSYSA-N 0 3 389.427 4.056 20 5 GIBDHN COc1cc(CNc2cc(C)cc(C)n2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000122375227 823345818 /nfs/dbraw/zinc/34/58/18/823345818.db2.gz QDNDYNOENSKLNF-UHFFFAOYSA-N 0 3 385.342 4.168 20 5 GIBDHN C[C@H]1CCCN(c2ccc(C(=O)Nc3ccccc3CN(C)C)cc2[N+](=O)[O-])C1 ZINC000024809916 819880431 /nfs/dbraw/zinc/88/04/31/819880431.db2.gz HSYYJDVYEFRESA-INIZCTEOSA-N 0 3 396.491 4.145 20 5 GIBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3CCC(OC[C@H]4CCCO4)CC3)o2)c1 ZINC000122983004 823443591 /nfs/dbraw/zinc/44/35/91/823443591.db2.gz BUYZJQWIYLDUAJ-HXUWFJFHSA-N 0 3 386.448 4.015 20 5 GIBDHN CSc1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000573161055 823457664 /nfs/dbraw/zinc/45/76/64/823457664.db2.gz GMFTXXMMAJNRGQ-QGZVFWFLSA-N 0 3 393.896 4.003 20 5 GIBDHN CCN(CC)[C@H](CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)c1ccsc1 ZINC000058824192 823459660 /nfs/dbraw/zinc/45/96/60/823459660.db2.gz ZOAGEQZJAPAZBQ-QGZVFWFLSA-N 0 3 376.482 4.169 20 5 GIBDHN CCN(CC)[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccsc1 ZINC000029415576 820453219 /nfs/dbraw/zinc/45/32/19/820453219.db2.gz LEUJNWWJNAFSOL-MRXNPFEDSA-N 0 3 381.885 4.123 20 5 GIBDHN COc1cccc([C@H](CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)N(C)C)c1 ZINC000059368227 823493913 /nfs/dbraw/zinc/49/39/13/823493913.db2.gz OMTFIMKSWWWKES-KRWDZBQOSA-N 0 3 383.370 4.337 20 5 GIBDHN CCN(CC)[C@H](CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1)c1ccsc1 ZINC000031988824 820885583 /nfs/dbraw/zinc/88/55/83/820885583.db2.gz ZCFXYVHMRBAXCO-MRXNPFEDSA-N 0 3 393.534 4.191 20 5 GIBDHN CCN(CC)[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccsc1 ZINC000043149330 821368935 /nfs/dbraw/zinc/36/89/35/821368935.db2.gz IMTXGUKPWQZTHT-KRWDZBQOSA-N 0 3 376.482 4.169 20 5 GIBDHN Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(CN(C)C)c1 ZINC000180859235 821498381 /nfs/dbraw/zinc/49/83/81/821498381.db2.gz UOVIFCDPSRJXDC-UHFFFAOYSA-N 0 3 381.354 4.236 20 5 GIBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000182861391 822381111 /nfs/dbraw/zinc/38/11/11/822381111.db2.gz YWXBYLBKYQRVMX-KRWDZBQOSA-N 0 3 393.487 4.266 20 5 GIBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000182867325 822382201 /nfs/dbraw/zinc/38/22/01/822382201.db2.gz ATTANUJTIITRIP-OAHLLOKOSA-N 0 3 385.439 4.454 20 5 GIBDHN Cc1nc(COc2ccc(CN(Cc3ccc([N+](=O)[O-])cc3)C(C)C)cc2)no1 ZINC000179320584 822465623 /nfs/dbraw/zinc/46/56/23/822465623.db2.gz DIOUMYHZSJDXFW-UHFFFAOYSA-N 0 3 396.447 4.276 20 5 GIBDHN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCCN2Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000570150971 823010667 /nfs/dbraw/zinc/01/06/67/823010667.db2.gz PKRAPHOPMHUTGA-DOVSJBTNSA-N 0 3 399.491 4.401 20 5 GIBDHN COc1ccc([C@@H](CN2CCCC2)Nc2ccc([N+](=O)[O-])c(C(C)=O)c2)cc1 ZINC000570473143 823042866 /nfs/dbraw/zinc/04/28/66/823042866.db2.gz TZBMWYJFWUQGAW-HXUWFJFHSA-N 0 3 383.448 4.055 20 5 GIBDHN CSc1ccc([C@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000570479352 823043369 /nfs/dbraw/zinc/04/33/69/823043369.db2.gz DSWVJEDPUPJKAU-KRWDZBQOSA-N 0 3 393.896 4.003 20 5 GIBDHN Cc1cc(NC[C@H](c2ccc(F)cc2)N(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000060860578 823563032 /nfs/dbraw/zinc/56/30/32/823563032.db2.gz ULPSYDFNEZQUKC-LJQANCHMSA-N 0 3 395.438 4.214 20 5 GIBDHN CC(C)(NCCC(=O)Nc1ccc(Cl)cc1F)c1ccccc1[N+](=O)[O-] ZINC000411758697 823603001 /nfs/dbraw/zinc/60/30/01/823603001.db2.gz OAMFFQVFBPZMIC-UHFFFAOYSA-N 0 3 379.819 4.241 20 5 GIBDHN Cc1ccc([C@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)N2CCCC2)cc1 ZINC000061733420 823610072 /nfs/dbraw/zinc/61/00/72/823610072.db2.gz CWAFXXACGOJGMJ-FQEVSTJZSA-N 0 3 382.464 4.170 20 5 GIBDHN CN(C)[C@H](CNc1ccc([N+](=O)[O-])cc1Br)c1cccc(F)c1 ZINC000461442313 823638443 /nfs/dbraw/zinc/63/84/43/823638443.db2.gz FWDOYCVHJIFWFI-MRXNPFEDSA-N 0 3 382.233 4.211 20 5 GIBDHN CCN(CC)C(=O)c1ccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000192640978 824053588 /nfs/dbraw/zinc/05/35/88/824053588.db2.gz LFSMVUXIZUFDKU-OAQYLSRUSA-N 0 3 381.476 4.244 20 5 GIBDHN Cc1ccc([C@H](C)NCC2=CCN(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000187746742 823124283 /nfs/dbraw/zinc/12/42/83/823124283.db2.gz FFVNPRXBZSWKOM-HNNXBMFYSA-N 0 3 375.469 4.121 20 5 GIBDHN CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000459680158 823249360 /nfs/dbraw/zinc/24/93/60/823249360.db2.gz UYZVMRIAVLGKQQ-RBUKOAKNSA-N 0 3 378.432 4.413 20 5 GIBDHN CCOc1ccc(NC(=O)CN[C@@H](c2ccc(F)cc2)C(C)C)c([N+](=O)[O-])c1 ZINC000015550363 818337851 /nfs/dbraw/zinc/33/78/51/818337851.db2.gz UFRWBGZWNFPFSD-HXUWFJFHSA-N 0 3 389.427 4.058 20 5 GIBDHN CC[C@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC)cc1 ZINC000019625634 818596536 /nfs/dbraw/zinc/59/65/36/818596536.db2.gz KWJWUNIQOPYQPX-SJCJKPOMSA-N 0 3 391.855 4.325 20 5 GIBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000023738916 818977379 /nfs/dbraw/zinc/97/73/79/818977379.db2.gz JLIRZHCBBNGUSN-OXQOHEQNSA-N 0 3 399.516 4.029 20 5 GIBDHN CSCc1cccc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000189487618 823428351 /nfs/dbraw/zinc/42/83/51/823428351.db2.gz WAIYCPDXGCXQBY-UHFFFAOYSA-N 0 3 382.489 4.148 20 5 GIBDHN Cc1cccc2nc(C3CCN(CCOc4ccccc4[N+](=O)[O-])CC3)oc21 ZINC000189816570 823501029 /nfs/dbraw/zinc/50/10/29/823501029.db2.gz VOYGPLXFJRAOSQ-UHFFFAOYSA-N 0 3 381.432 4.303 20 5 GIBDHN CCN(CC)[C@@H](CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1)c1ccsc1 ZINC000031988822 820885341 /nfs/dbraw/zinc/88/53/41/820885341.db2.gz ZCFXYVHMRBAXCO-INIZCTEOSA-N 0 3 393.534 4.191 20 5 GIBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000182649109 822338774 /nfs/dbraw/zinc/33/87/74/822338774.db2.gz JTUCNQNBLSXVDH-SJORKVTESA-N 0 3 383.496 4.162 20 5 GIBDHN Cc1ccc(CNC(=O)C2CCN([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)cc1 ZINC000182821220 822372917 /nfs/dbraw/zinc/37/29/17/822372917.db2.gz HFMXEVOWDHVJCD-SFHVURJKSA-N 0 3 395.503 4.301 20 5 GIBDHN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(OCc2nccn2C)cc1 ZINC000178684868 822402999 /nfs/dbraw/zinc/40/29/99/822402999.db2.gz SPGBYKCCUSYAEV-CVEARBPZSA-N 0 3 380.448 4.319 20 5 GIBDHN Cc1ccc([C@@H](C)NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000180276683 822652868 /nfs/dbraw/zinc/65/28/68/822652868.db2.gz IMXNOVNEYOUGKH-CQSZACIVSA-N 0 3 395.419 4.063 20 5 GIBDHN CN(C)Cc1cccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000050313451 822725122 /nfs/dbraw/zinc/72/51/22/822725122.db2.gz FTGXGONDDVLBAZ-UHFFFAOYSA-N 0 3 382.445 4.032 20 5 GIBDHN Cc1cnc([C@@H](NCCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C2CC2)s1 ZINC000185297242 822761524 /nfs/dbraw/zinc/76/15/24/822761524.db2.gz NYHRFEIOALZNLP-SFHVURJKSA-N 0 3 384.461 4.298 20 5 GIBDHN Cc1c(NC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000174476231 822794970 /nfs/dbraw/zinc/79/49/70/822794970.db2.gz BPJBUGIKFJPVIR-MRXNPFEDSA-N 0 3 382.464 4.032 20 5 GIBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@]4(C3)OCc3ccccc34)o2)cc1 ZINC000186443536 822896518 /nfs/dbraw/zinc/89/65/18/822896518.db2.gz NOJUUNHZBWADOB-JOCHJYFZSA-N 0 3 376.412 4.486 20 5 GIBDHN C[C@@H]1C[C@@H](CCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H](C)O1 ZINC000569829085 822973715 /nfs/dbraw/zinc/97/37/15/822973715.db2.gz PQVOMKYJXFJAOL-QDMKHBRRSA-N 0 3 375.494 4.402 20 5 GIBDHN CN(C)CCN(Cc1cccs1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000175662433 823015196 /nfs/dbraw/zinc/01/51/96/823015196.db2.gz PJZDGOUGSLZLHA-UHFFFAOYSA-N 0 3 389.502 4.075 20 5 GIBDHN C[C@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(NC(=O)NC2CC2)cc1 ZINC000570292543 823023138 /nfs/dbraw/zinc/02/31/38/823023138.db2.gz OUCSCPMGGUMZJY-ORAYPTAESA-N 0 3 380.448 4.217 20 5 GIBDHN C[C@@H](N[C@@H]1CCCC[C@@H]1C(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000124194184 823576388 /nfs/dbraw/zinc/57/63/88/823576388.db2.gz HBDLROJJSZAKCB-SUZMYJTESA-N 0 3 393.793 4.286 20 5 GIBDHN CCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccc(Cl)s1 ZINC000063482777 823675332 /nfs/dbraw/zinc/67/53/32/823675332.db2.gz CJYKWJQHICLZEC-UHFFFAOYSA-N 0 3 381.885 4.469 20 5 GIBDHN CC(=O)c1ccc(NC(=O)CCN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000063560012 823679394 /nfs/dbraw/zinc/67/93/94/823679394.db2.gz DVIUJELNVCXKPW-UHFFFAOYSA-N 0 3 383.448 4.037 20 5 GIBDHN C[C@@H](c1ccncc1)N1CCC(Nc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413205402 823727704 /nfs/dbraw/zinc/72/77/04/823727704.db2.gz OYJXYSQJSAXMPM-HNNXBMFYSA-N 0 3 377.448 4.176 20 5 GIBDHN CN(c1ccccc1)c1ccc(CN2CC[C@H](c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000575026911 823892566 /nfs/dbraw/zinc/89/25/66/823892566.db2.gz GTLNRLIJJREBDE-SFHVURJKSA-N 0 3 391.475 4.086 20 5 GIBDHN CCN(CC)C(=O)c1ccc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000192640994 824053731 /nfs/dbraw/zinc/05/37/31/824053731.db2.gz LFSMVUXIZUFDKU-NRFANRHFSA-N 0 3 381.476 4.244 20 5 GIBDHN CSc1ccc(C(=O)N(Cc2ccccc2)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000176125080 823128985 /nfs/dbraw/zinc/12/89/85/823128985.db2.gz IFSLHLWBOFQRCV-UHFFFAOYSA-N 0 3 399.516 4.053 20 5 GIBDHN C[C@@H]1CN(CCCCNC(=O)c2cc3ccccc3c3cccnc23)C[C@@H](C)O1 ZINC000176137503 823133091 /nfs/dbraw/zinc/13/30/91/823133091.db2.gz QWBXBKHDEOBNDI-QZTJIDSGSA-N 0 3 391.515 4.007 20 5 GIBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2c3ccc(C)cc3[C@@H]3CN(C)CC[C@@H]32)c1 ZINC000121190978 823135644 /nfs/dbraw/zinc/13/56/44/823135644.db2.gz LUUJXESRQJYYMI-HKUYNNGSSA-N 0 3 397.500 4.073 20 5 GIBDHN CC[C@H](N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(OC)cc1 ZINC000019625738 818596517 /nfs/dbraw/zinc/59/65/17/818596517.db2.gz KPASGTLWUJIXLY-PXAZEXFGSA-N 0 3 391.855 4.325 20 5 GIBDHN CN1CCC[C@H](CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000177065746 823363066 /nfs/dbraw/zinc/36/30/66/823363066.db2.gz GKHZUYQPVVBTHM-MLGOLLRUSA-N 0 3 393.896 4.123 20 5 GIBDHN O=C(CN[C@@H](Cc1ccccc1)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000024733390 819869590 /nfs/dbraw/zinc/86/95/90/819869590.db2.gz LANSRDNQEUKVDL-FQEVSTJZSA-N 0 3 375.428 4.107 20 5 GIBDHN C[C@]1(CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)OCCc2sccc21 ZINC000573170069 823459378 /nfs/dbraw/zinc/45/93/78/823459378.db2.gz FRMTWLOVLYOWSZ-HXUWFJFHSA-N 0 3 384.457 4.494 20 5 GIBDHN CN(C)[C@@H](CNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000029923618 820549489 /nfs/dbraw/zinc/54/94/89/820549489.db2.gz LVAZKJRNJSPEJM-HNNXBMFYSA-N 0 3 398.341 4.237 20 5 GIBDHN CCN(CC)[C@@H](CNC(=O)c1cc(SC)ccc1[N+](=O)[O-])c1ccsc1 ZINC000031985609 820884381 /nfs/dbraw/zinc/88/43/81/820884381.db2.gz QJZMNQKWOFIQJF-KRWDZBQOSA-N 0 3 393.534 4.191 20 5 GIBDHN O=[N+]([O-])c1ccccc1C[C@@H](NCc1nnc(-c2ccccc2)s1)C1CC1 ZINC000181310358 821749187 /nfs/dbraw/zinc/74/91/87/821749187.db2.gz YHADWSHXEOQBFB-QGZVFWFLSA-N 0 3 380.473 4.224 20 5 GIBDHN C[C@@H](N[C@@H](C)C(=O)NC(C)(C)C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000178093120 822316345 /nfs/dbraw/zinc/31/63/45/822316345.db2.gz FZEKCVYMSQYVPM-OLZOCXBDSA-N 0 3 375.494 4.277 20 5 GIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C)c1cc2ccccc2o1 ZINC000182646435 822337751 /nfs/dbraw/zinc/33/77/51/822337751.db2.gz WZSZRVUHOJIQSH-ZDUSSCGKSA-N 0 3 383.404 4.029 20 5 GIBDHN CCC[C@H](NCCNC(=O)c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000178170888 822340735 /nfs/dbraw/zinc/34/07/35/822340735.db2.gz UAJZUIWCNVMEMM-SFHVURJKSA-N 0 3 375.856 4.109 20 5 GIBDHN Cc1ccc(CNC(=O)C2CCN([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)cc1 ZINC000182821242 822372851 /nfs/dbraw/zinc/37/28/51/822372851.db2.gz HFMXEVOWDHVJCD-GOSISDBHSA-N 0 3 395.503 4.301 20 5 GIBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000182855110 822379613 /nfs/dbraw/zinc/37/96/13/822379613.db2.gz SEROTEXYONYELD-OAHLLOKOSA-N 0 3 383.448 4.021 20 5 GIBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 ZINC000183457443 822477653 /nfs/dbraw/zinc/47/76/53/822477653.db2.gz DXSMNOKHERQVFG-KRWDZBQOSA-N 0 3 396.491 4.010 20 5 GIBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 ZINC000183457466 822477681 /nfs/dbraw/zinc/47/76/81/822477681.db2.gz DXSMNOKHERQVFG-QGZVFWFLSA-N 0 3 396.491 4.010 20 5 GIBDHN CCOc1ccc([C@@H](C)N[C@@H](C)c2ccc(N3CCOC3=O)cc2)cc1[N+](=O)[O-] ZINC000179409028 822478613 /nfs/dbraw/zinc/47/86/13/822478613.db2.gz CKPKZZKEBKNETM-LSDHHAIUSA-N 0 3 399.447 4.362 20 5 GIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](C)c1oc2ccccc2c1C ZINC000183629732 822503457 /nfs/dbraw/zinc/50/34/57/822503457.db2.gz JSTKBNLFHIUWIB-CQSZACIVSA-N 0 3 397.431 4.337 20 5 GIBDHN CC[C@H](NCCC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(F)cc1F ZINC000179632969 822516609 /nfs/dbraw/zinc/51/66/09/822516609.db2.gz BBTILVVVWBSKDN-INIZCTEOSA-N 0 3 377.391 4.251 20 5 GIBDHN COc1ccc(NC(=O)CN[C@@H](C)c2cc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000184354859 822620842 /nfs/dbraw/zinc/62/08/42/822620842.db2.gz AVTVHPWLXRWOSF-LBPRGKRZSA-N 0 3 385.445 4.107 20 5 GIBDHN C[C@H](NCc1ccc(I)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180422199 822678894 /nfs/dbraw/zinc/67/88/94/822678894.db2.gz DHLLBEDZLWGEOW-NSHDSACASA-N 0 3 382.201 4.050 20 5 GIBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCS[C@@H]4COCC[C@@H]43)o2)c(Cl)c1 ZINC000180451973 822684873 /nfs/dbraw/zinc/68/48/73/822684873.db2.gz BRMGVUSDPMTTBS-FUHWJXTLSA-N 0 3 394.880 4.215 20 5 GIBDHN CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000190429620 823572685 /nfs/dbraw/zinc/57/26/85/823572685.db2.gz ZKAXHBUSMMZALA-ICSRJNTNSA-N 0 3 396.447 4.081 20 5 GIBDHN Cc1ccc([C@@H](C)NCCC(=O)Nc2ccc(Cl)cc2F)cc1[N+](=O)[O-] ZINC000411476337 823579285 /nfs/dbraw/zinc/57/92/85/823579285.db2.gz PSWPRRWSDGNJIU-GFCCVEGCSA-N 0 3 379.819 4.375 20 5 GIBDHN O=[N+]([O-])c1ccc(-c2nnc(CN3C[C@@H](c4ccccc4)C4(CCC4)C3)o2)cc1 ZINC000411992155 823618843 /nfs/dbraw/zinc/61/88/43/823618843.db2.gz VAJNKWLJSLXNQQ-IBGZPJMESA-N 0 3 390.443 4.415 20 5 GIBDHN CC(C)c1ccc(CN[C@H](c2ccccc2)C2(CO)CCOCC2)cc1[N+](=O)[O-] ZINC000414537723 824004876 /nfs/dbraw/zinc/00/48/76/824004876.db2.gz LMPYUKOPAOZKSR-JOCHJYFZSA-N 0 3 398.503 4.338 20 5 GIBDHN O=[N+]([O-])c1ccc(CN2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 ZINC000120854888 823077323 /nfs/dbraw/zinc/07/73/23/823077323.db2.gz BSEHOFGXWVDEPD-MRXNPFEDSA-N 0 3 382.395 4.164 20 5 GIBDHN O=[N+]([O-])c1ccccc1CN1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000120859298 823078467 /nfs/dbraw/zinc/07/84/67/823078467.db2.gz CVMZJBRBXNZUQR-MRXNPFEDSA-N 0 3 382.395 4.164 20 5 GIBDHN O=C(CC1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1)N1CCCC1 ZINC000121528444 823200457 /nfs/dbraw/zinc/20/04/57/823200457.db2.gz HAFBIVJJHDMUMW-UHFFFAOYSA-N 0 3 397.475 4.079 20 5 GIBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H](c3ccco3)N3CCCC3)o2)cc1 ZINC000409576043 823252826 /nfs/dbraw/zinc/25/28/26/823252826.db2.gz MCEVDIBSSYNGIM-IBGZPJMESA-N 0 3 381.432 4.375 20 5 GIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000011101244 818051938 /nfs/dbraw/zinc/05/19/38/818051938.db2.gz ATDACKOINAQPTR-BFUOFWGJSA-N 0 3 389.427 4.056 20 5 GIBDHN CC[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC)cc1 ZINC000019625629 818596598 /nfs/dbraw/zinc/59/65/98/818596598.db2.gz KWJWUNIQOPYQPX-YVEFUNNKSA-N 0 3 391.855 4.325 20 5 GIBDHN CN(C(=O)CN[C@H](Cc1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000024734779 819870097 /nfs/dbraw/zinc/87/00/97/819870097.db2.gz CVPPRHHXXWGUHH-JOCHJYFZSA-N 0 3 389.455 4.131 20 5 GIBDHN Cc1ccc([C@H](C)NC(=O)c2oc3ccccc3c2CN(C)C)cc1[N+](=O)[O-] ZINC000177852186 823536339 /nfs/dbraw/zinc/53/63/39/823536339.db2.gz HVCNWUTWFHUEPW-AWEZNQCLSA-N 0 3 381.432 4.202 20 5 GIBDHN CCN(CC)[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccsc1 ZINC000043347045 821395961 /nfs/dbraw/zinc/39/59/61/821395961.db2.gz IPVFLANDJXDGHR-KRWDZBQOSA-N 0 3 376.482 4.169 20 5 GIBDHN CCOc1ccc([C@H](C)NCc2ccccc2-n2ccc(C)n2)cc1[N+](=O)[O-] ZINC000181402309 821807932 /nfs/dbraw/zinc/80/79/32/821807932.db2.gz OMXKYQIHLDMLMX-INIZCTEOSA-N 0 3 380.448 4.338 20 5 GIBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C)c1cc2ccccc2o1 ZINC000182622881 822326951 /nfs/dbraw/zinc/32/69/51/822326951.db2.gz KKGMLFNGYKNUKC-CYBMUJFWSA-N 0 3 383.404 4.029 20 5 GIBDHN CCOc1ccc([C@H](C)N[C@H](C)c2ccc(N3CCOC3=O)cc2)cc1[N+](=O)[O-] ZINC000179409066 822478663 /nfs/dbraw/zinc/47/86/63/822478663.db2.gz CKPKZZKEBKNETM-CABCVRRESA-N 0 3 399.447 4.362 20 5 GIBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C)c1oc2ccccc2c1C ZINC000183539329 822491910 /nfs/dbraw/zinc/49/19/10/822491910.db2.gz GTYRGGQBOSHDIZ-AWEZNQCLSA-N 0 3 397.431 4.337 20 5 GIBDHN CC[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000179725612 822535924 /nfs/dbraw/zinc/53/59/24/822535924.db2.gz FMCRNJJRFLDJOK-AWEZNQCLSA-N 0 3 393.390 4.266 20 5 GIBDHN CSc1ccc([C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2C)N(C)C)cc1 ZINC000455174745 822602014 /nfs/dbraw/zinc/60/20/14/822602014.db2.gz VVEJPJJQBDJAOF-GOSISDBHSA-N 0 3 388.493 4.050 20 5 GIBDHN CC[C@@H](N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000184530007 822651688 /nfs/dbraw/zinc/65/16/88/822651688.db2.gz OFXFVRGQXKOFQD-NHCUHLMSSA-N 0 3 385.439 4.268 20 5 GIBDHN O=[N+]([O-])c1cccc([C@@H](NC2CCN(CC(F)(F)F)CC2)c2ccccc2)c1 ZINC000180381850 822673047 /nfs/dbraw/zinc/67/30/47/822673047.db2.gz QXFPRBNOXPUHHO-IBGZPJMESA-N 0 3 393.409 4.301 20 5 GIBDHN CC[C@@H](NCc1ccc(C(=O)N2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180411022 822677336 /nfs/dbraw/zinc/67/73/36/822677336.db2.gz XTFYAKNDVABXPS-OAQYLSRUSA-N 0 3 381.476 4.462 20 5 GIBDHN C[C@H](NC[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180452107 822684888 /nfs/dbraw/zinc/68/48/88/822684888.db2.gz RTUWKDKRCKNCRU-CKFHNAJUSA-N 0 3 378.856 4.038 20 5 GIBDHN COc1ccc(CNCc2ccccc2CN(C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000174450541 822791369 /nfs/dbraw/zinc/79/13/69/822791369.db2.gz IWYXJDYPSDWIAD-UHFFFAOYSA-N 0 3 395.459 4.118 20 5 GIBDHN C/C=C/C[C@@H](CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000185828736 822825000 /nfs/dbraw/zinc/82/50/00/822825000.db2.gz KCDSLTHABXBEAU-JDGPPOGSSA-N 0 3 395.253 4.034 20 5 GIBDHN CC(C)[C@@H]1OCCC[C@@H]1CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000175063011 822876248 /nfs/dbraw/zinc/87/62/48/822876248.db2.gz CERAOQUEVRHCOM-QAPCUYQASA-N 0 3 375.494 4.259 20 5 GIBDHN Cn1nc(CCN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000186485434 822903174 /nfs/dbraw/zinc/90/31/74/822903174.db2.gz ARPDRHUXDRLIAA-HSZRJFAPSA-N 0 3 386.455 4.403 20 5 GIBDHN COC(=O)c1cccc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)c1 ZINC000570084710 823004594 /nfs/dbraw/zinc/00/45/94/823004594.db2.gz MBOAQKKDNJNZEN-UHFFFAOYSA-N 0 3 382.441 4.400 20 5 GIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000060969425 823570200 /nfs/dbraw/zinc/57/02/00/823570200.db2.gz PHFZCDVWDYRIPV-GJZGRUSLSA-N 0 3 397.475 4.160 20 5 GIBDHN O=C(CCN[C@@H](CC(F)(F)F)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411446140 823574992 /nfs/dbraw/zinc/57/49/92/823574992.db2.gz BOVKUURKTNNYJZ-INIZCTEOSA-N 0 3 381.354 4.207 20 5 GIBDHN Cc1ccc([C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2C)N2CCCC2)cc1 ZINC000061746314 823611364 /nfs/dbraw/zinc/61/13/64/823611364.db2.gz WEPAOZRJOOLZTJ-FQEVSTJZSA-N 0 3 382.464 4.170 20 5 GIBDHN CCN(CCC(=O)Nc1cccc([N+](=O)[O-])c1C)Cc1ccc(Cl)s1 ZINC000063482779 823675377 /nfs/dbraw/zinc/67/53/77/823675377.db2.gz VSIIJTABACVACA-UHFFFAOYSA-N 0 3 381.885 4.469 20 5 GIBDHN CC[C@@H](NCc1ccc(C)nc1-n1cc(Cl)cn1)c1cccc([N+](=O)[O-])c1 ZINC000191532571 823696492 /nfs/dbraw/zinc/69/64/92/823696492.db2.gz NSORZLQYZATWKL-GOSISDBHSA-N 0 3 385.855 4.378 20 5 GIBDHN C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NCc1ccc([N+](=O)[O-])cc1 ZINC000121129594 823123397 /nfs/dbraw/zinc/12/33/97/823123397.db2.gz AYAOSMIGOBJVRT-LBPRGKRZSA-N 0 3 381.354 4.121 20 5 GIBDHN O=[N+]([O-])c1ccc(-c2noc(CNC3(Cc4ccccc4)CCCC3)n2)cc1 ZINC000571190952 823146068 /nfs/dbraw/zinc/14/60/68/823146068.db2.gz HSVVABRRFPYQAC-UHFFFAOYSA-N 0 3 378.432 4.290 20 5 GIBDHN CSc1cccc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)c1[N+](=O)[O-] ZINC000188096635 823185773 /nfs/dbraw/zinc/18/57/73/823185773.db2.gz DNJMVKTWYWUOFH-SFHVURJKSA-N 0 3 399.516 4.192 20 5 GIBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000029178347 820406902 /nfs/dbraw/zinc/40/69/02/820406902.db2.gz OTKMGHCECQBOHG-OXQOHEQNSA-N 0 3 399.516 4.029 20 5 GIBDHN CCN(CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccsc1 ZINC000123256167 823486325 /nfs/dbraw/zinc/48/63/25/823486325.db2.gz HCSUPWWLHPTEOH-SFHVURJKSA-N 0 3 398.488 4.017 20 5 GIBDHN Cc1ccc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c(CN(C)C)c1 ZINC000182716185 822357366 /nfs/dbraw/zinc/35/73/66/822357366.db2.gz SNHXDNDQWYILQD-UHFFFAOYSA-N 0 3 393.896 4.349 20 5 GIBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000182738235 822360185 /nfs/dbraw/zinc/36/01/85/822360185.db2.gz LMUVZMLEJSEWPS-OAHLLOKOSA-N 0 3 393.447 4.289 20 5 GIBDHN Cc1csc([C@@H](NCCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C2CC2)n1 ZINC000183506496 822487408 /nfs/dbraw/zinc/48/74/08/822487408.db2.gz PYPSHIOGPCQAHA-SFHVURJKSA-N 0 3 384.461 4.298 20 5 GIBDHN COc1ccc2oc([C@@H](C)NCCC(=O)Nc3ccccc3[N+](=O)[O-])c(C)c2c1 ZINC000184339358 822618382 /nfs/dbraw/zinc/61/83/82/822618382.db2.gz HZKDKNCAKBLZQP-CQSZACIVSA-N 0 3 397.431 4.337 20 5 GIBDHN CC(C)c1noc(CCCN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)n1 ZINC000180411756 822677472 /nfs/dbraw/zinc/67/74/72/822677472.db2.gz WVNKAWVMQXAJOW-HXUWFJFHSA-N 0 3 380.448 4.413 20 5 GIBDHN O=[N+]([O-])c1cccc([C@@H](NC[C@@H](CCO)c2ccccc2)c2ccccc2)c1 ZINC000180607379 822711188 /nfs/dbraw/zinc/71/11/88/822711188.db2.gz XPNYGQSUBOZDPE-GGAORHGYSA-N 0 3 376.456 4.440 20 5 GIBDHN CCN(CC)[C@@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccsc1 ZINC000185006532 822724498 /nfs/dbraw/zinc/72/44/98/822724498.db2.gz JDUTVBULZILWHJ-UGSOOPFHSA-N 0 3 393.484 4.098 20 5 GIBDHN O=[N+]([O-])c1ccc(-c2nnc(CNC3(Cc4ccccc4)CCCC3)o2)cc1 ZINC000185836590 822825863 /nfs/dbraw/zinc/82/58/63/822825863.db2.gz BVYQVNSZWJMJMV-UHFFFAOYSA-N 0 3 378.432 4.290 20 5 GIBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3CC[C@]4(C3)OCc3ccccc34)o2)c1 ZINC000186434313 822894727 /nfs/dbraw/zinc/89/47/27/822894727.db2.gz VQVYQMPTTDLQFA-JOCHJYFZSA-N 0 3 376.412 4.486 20 5 GIBDHN O=[N+]([O-])c1ccc(N2CCN(Cc3cccc4cccnc43)CC2)c2ccncc21 ZINC000054636594 822901013 /nfs/dbraw/zinc/90/10/13/822901013.db2.gz FXODUCAKHSUGSN-UHFFFAOYSA-N 0 3 399.454 4.013 20 5 GIBDHN C[C@@H]1CC(CCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H](C)O1 ZINC000569829086 822973757 /nfs/dbraw/zinc/97/37/57/822973757.db2.gz PQVOMKYJXFJAOL-ZIAGYGMSSA-N 0 3 375.494 4.402 20 5 GIBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)c1 ZINC000460965590 823552243 /nfs/dbraw/zinc/55/22/43/823552243.db2.gz SLHWQRHARVIBOV-OAQYLSRUSA-N 0 3 381.476 4.106 20 5 GIBDHN CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000190429598 823572669 /nfs/dbraw/zinc/57/26/69/823572669.db2.gz FZRCLCNAVMQOGU-ICSRJNTNSA-N 0 3 396.447 4.081 20 5 GIBDHN O=[N+]([O-])c1ccc(-c2nnc(CN3C[C@H](c4ccccc4)C4(CCC4)C3)o2)cc1 ZINC000411992156 823618873 /nfs/dbraw/zinc/61/88/73/823618873.db2.gz VAJNKWLJSLXNQQ-LJQANCHMSA-N 0 3 390.443 4.415 20 5 GIBDHN COc1ccc([C@H](CNc2ccc([N+](=O)[O-])c(OC)c2)N2CCCCC2)cc1 ZINC000462117080 823833701 /nfs/dbraw/zinc/83/37/01/823833701.db2.gz BGXLSVFPKNODGY-FQEVSTJZSA-N 0 3 385.464 4.251 20 5 GIBDHN Cc1ccc(C)c(OC2CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000064631578 823854376 /nfs/dbraw/zinc/85/43/76/823854376.db2.gz GRUOYUQFQICXIY-UHFFFAOYSA-N 0 3 397.475 4.084 20 5 GIBDHN CCN(CC)[C@@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccsc1 ZINC000064879134 823905648 /nfs/dbraw/zinc/90/56/48/823905648.db2.gz LPBVPVRLTIDTDP-INIZCTEOSA-N 0 3 381.885 4.123 20 5 GIBDHN Cc1ccc(CNCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1[N+](=O)[O-] ZINC000065014592 823924849 /nfs/dbraw/zinc/92/48/49/823924849.db2.gz ITFUFVVVCCEDJI-UHFFFAOYSA-N 0 3 390.365 4.398 20 5 GIBDHN CCN(CC)[C@H](CNC(=O)c1cccc(SC)c1[N+](=O)[O-])c1ccsc1 ZINC000188052925 823178293 /nfs/dbraw/zinc/17/82/93/823178293.db2.gz GPJCTJAWSSLFTL-OAHLLOKOSA-N 0 3 393.534 4.191 20 5 GIBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000571694778 823220217 /nfs/dbraw/zinc/22/02/17/823220217.db2.gz NGNZWIZHSDWUNI-HXUWFJFHSA-N 0 3 382.464 4.116 20 5 GIBDHN CN(CCCc1cc(-c2ccccc2)n[nH]1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000177035444 823356014 /nfs/dbraw/zinc/35/60/14/823356014.db2.gz LOYTYOJRLFWZHS-UHFFFAOYSA-N 0 3 391.431 4.191 20 5 GIBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3CCC(OC[C@@H]4CCCO4)CC3)o2)c1 ZINC000122982761 823443615 /nfs/dbraw/zinc/44/36/15/823443615.db2.gz BUYZJQWIYLDUAJ-FQEVSTJZSA-N 0 3 386.448 4.015 20 5 GIBDHN CCCCN(C)C(=O)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000123203223 823477927 /nfs/dbraw/zinc/47/79/27/823477927.db2.gz DLNHNEIOMCBADQ-UHFFFAOYSA-N 0 3 399.491 4.325 20 5 GIBDHN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(I)cc1 ZINC000037668407 821093416 /nfs/dbraw/zinc/09/34/16/821093416.db2.gz HJFYHLICOIRGEU-LLVKDONJSA-N 0 3 382.201 4.050 20 5 GIBDHN O=[N+]([O-])c1ccccc1C[C@H](NCc1nnc(-c2ccccc2)s1)C1CC1 ZINC000181310340 821749113 /nfs/dbraw/zinc/74/91/13/821749113.db2.gz YHADWSHXEOQBFB-KRWDZBQOSA-N 0 3 380.473 4.224 20 5 GIBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C)c1cc2ccccc2o1 ZINC000182622859 822326703 /nfs/dbraw/zinc/32/67/03/822326703.db2.gz KKGMLFNGYKNUKC-ZDUSSCGKSA-N 0 3 383.404 4.029 20 5 GIBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000182738253 822360082 /nfs/dbraw/zinc/36/00/82/822360082.db2.gz LMUVZMLEJSEWPS-HNNXBMFYSA-N 0 3 393.447 4.289 20 5 GIBDHN CC[C@H](N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000184529989 822651708 /nfs/dbraw/zinc/65/17/08/822651708.db2.gz OFXFVRGQXKOFQD-LEWJYISDSA-N 0 3 385.439 4.268 20 5 GIBDHN CN(C)C(=O)CC1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000180333506 822665010 /nfs/dbraw/zinc/66/50/10/822665010.db2.gz APSPZXVPDQYIAK-UHFFFAOYSA-N 0 3 387.505 4.014 20 5 GIBDHN Cn1cc(CN(CCC(F)(F)F)CC2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000180536721 822698227 /nfs/dbraw/zinc/69/82/27/822698227.db2.gz CRVOJMFCONIJOD-UHFFFAOYSA-N 0 3 382.386 4.160 20 5 GIBDHN O=[N+]([O-])c1cccc([C@@H](NCCCOCC2CCOCC2)c2ccccc2)c1 ZINC000180599309 822708756 /nfs/dbraw/zinc/70/87/56/822708756.db2.gz IXUSQANVEHKXBA-QFIPXVFZSA-N 0 3 384.476 4.107 20 5 GIBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133708 822747696 /nfs/dbraw/zinc/74/76/96/822747696.db2.gz MYBWRKQXHVWFFH-PLMTUMEDSA-N 0 3 397.475 4.022 20 5 GIBDHN C[C@](O)(CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccco1 ZINC000174527548 822801430 /nfs/dbraw/zinc/80/14/30/822801430.db2.gz LJUKCSNDGYQMFI-SFHVURJKSA-N 0 3 376.796 4.099 20 5 GIBDHN C[C@@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(NC(=O)NC2CC2)cc1 ZINC000570292549 823023145 /nfs/dbraw/zinc/02/31/45/823023145.db2.gz OUCSCPMGGUMZJY-YJYMSZOUSA-N 0 3 380.448 4.217 20 5 GIBDHN CCN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCOC(C)(C)C1 ZINC000570326637 823026145 /nfs/dbraw/zinc/02/61/45/823026145.db2.gz WBBNLNRPPGVYNI-QGZVFWFLSA-N 0 3 375.494 4.498 20 5 GIBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190176498 823546684 /nfs/dbraw/zinc/54/66/84/823546684.db2.gz PPENBDIDLFMWCS-OAHLLOKOSA-N 0 3 387.402 4.142 20 5 GIBDHN COc1cc(CNCc2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000061002714 823572062 /nfs/dbraw/zinc/57/20/62/823572062.db2.gz WJSRDONWPJOYRS-UHFFFAOYSA-N 0 3 378.428 4.472 20 5 GIBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000124613105 823611098 /nfs/dbraw/zinc/61/10/98/823611098.db2.gz HHBSLPWRMJHOJH-QRVBRYPASA-N 0 3 397.519 4.363 20 5 GIBDHN O=[N+]([O-])c1ccc(-c2nnc(CN[C@H]3CCC[C@@H]3Cc3ccccc3)o2)cc1 ZINC000191355234 823675722 /nfs/dbraw/zinc/67/57/22/823675722.db2.gz BEZGPVMHYPVUHO-MJGOQNOKSA-N 0 3 378.432 4.146 20 5 GIBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)c1cccc2ccccc21 ZINC000008269405 818027230 /nfs/dbraw/zinc/02/72/30/818027230.db2.gz NVLWODZHYVEJCN-CQSZACIVSA-N 0 3 379.416 4.046 20 5 GIBDHN CC[C@@H](N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccc(Cl)cc1 ZINC000011047052 818047938 /nfs/dbraw/zinc/04/79/38/818047938.db2.gz UNWJSTURQQBKEP-BLLLJJGKSA-N 0 3 391.855 4.325 20 5 GIBDHN COc1ccc(NC(=O)[C@@H](C)N[C@H](c2ccc(F)cc2)C(C)C)c([N+](=O)[O-])c1 ZINC000011102293 818051851 /nfs/dbraw/zinc/05/18/51/818051851.db2.gz GPTXYYSGYPCTST-YJYMSZOUSA-N 0 3 389.427 4.056 20 5 GIBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](Cc1ccccc1)c1ccccc1 ZINC000019538789 818594018 /nfs/dbraw/zinc/59/40/18/818594018.db2.gz ZASXAJKPWDWOBJ-QFIPXVFZSA-N 0 3 389.455 4.415 20 5 GIBDHN CO[C@@H](C)[C@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000189116697 823360147 /nfs/dbraw/zinc/36/01/47/823360147.db2.gz PAEFBVVETIGIGI-QWRGUYRKSA-N 0 3 383.242 4.130 20 5 GIBDHN CCN(CC)[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccsc1 ZINC000043149331 821368738 /nfs/dbraw/zinc/36/87/38/821368738.db2.gz IMTXGUKPWQZTHT-QGZVFWFLSA-N 0 3 376.482 4.169 20 5 GIBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000182867345 822382346 /nfs/dbraw/zinc/38/23/46/822382346.db2.gz ATTANUJTIITRIP-HNNXBMFYSA-N 0 3 385.439 4.454 20 5 GIBDHN CN1CC[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]1c1ccccc1 ZINC000179045213 822433201 /nfs/dbraw/zinc/43/32/01/822433201.db2.gz MDWUSYXTDJUMPN-UXHICEINSA-N 0 3 394.500 4.253 20 5 GIBDHN Cc1ccc(CN(C)C)cc1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000183453816 822477286 /nfs/dbraw/zinc/47/72/86/822477286.db2.gz MLUGOJVFJASIGU-UHFFFAOYSA-N 0 3 393.896 4.349 20 5 GIBDHN O=[N+]([O-])c1ccc(CNCCc2coc(-c3ccc(F)cc3)n2)c(Cl)c1 ZINC000183735073 822518804 /nfs/dbraw/zinc/51/88/04/822518804.db2.gz OOHHJFMDTSYXGL-UHFFFAOYSA-N 0 3 375.787 4.375 20 5 GIBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000054355287 822877956 /nfs/dbraw/zinc/87/79/56/822877956.db2.gz SSICTZOEIGNTQL-ZFWWWQNUSA-N 0 3 388.855 4.205 20 5 GIBDHN CC[C@@H]1Oc2cc([C@H](C)N[C@@H]3CCc4c3cccc4[N+](=O)[O-])ccc2NC1=O ZINC000569378685 822913355 /nfs/dbraw/zinc/91/33/55/822913355.db2.gz YOTPHCIZSIRNLX-MOFZMDFASA-N 0 3 381.432 4.042 20 5 GIBDHN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCCN2Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000570150973 823010626 /nfs/dbraw/zinc/01/06/26/823010626.db2.gz PKRAPHOPMHUTGA-IDCXYZFESA-N 0 3 399.491 4.401 20 5 GIBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190176477 823546737 /nfs/dbraw/zinc/54/67/37/823546737.db2.gz PPENBDIDLFMWCS-HNNXBMFYSA-N 0 3 387.402 4.142 20 5 GIBDHN O=C(CCNC1(c2cccc(C(F)(F)F)c2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000411369955 823566959 /nfs/dbraw/zinc/56/69/59/823566959.db2.gz ZJAMTJSDTBGDJF-UHFFFAOYSA-N 0 3 393.365 4.221 20 5 GIBDHN CC(C)(C)N1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 ZINC000063722555 823691489 /nfs/dbraw/zinc/69/14/89/823691489.db2.gz BTRTZUJJVCIOHK-UHFFFAOYSA-N 0 3 397.475 4.334 20 5 GIBDHN Cc1ccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2C)c(-n2cc(Cl)cn2)n1 ZINC000191529341 823695946 /nfs/dbraw/zinc/69/59/46/823695946.db2.gz ABMXZXXSDVBHQM-CQSZACIVSA-N 0 3 385.855 4.297 20 5 GIBDHN CC(C)[C@@H](C)NC(=O)C1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000126798843 823954001 /nfs/dbraw/zinc/95/40/01/823954001.db2.gz FNQLYCKAZCMZRM-MRXNPFEDSA-N 0 3 399.491 4.228 20 5 GIBDHN COc1ccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1OC(F)F ZINC000192638725 824053190 /nfs/dbraw/zinc/05/31/90/824053190.db2.gz PNRWAWZJCOWARB-MRXNPFEDSA-N 0 3 378.375 4.372 20 5 GIBDHN CCN(CC)[C@H](CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000056399627 823143486 /nfs/dbraw/zinc/14/34/86/823143486.db2.gz QNMQILQYSMASJH-KBXCAEBGSA-N 0 3 390.509 4.100 20 5 GIBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCCCC[C@@H]1c1ccco1 ZINC000121253281 823148472 /nfs/dbraw/zinc/14/84/72/823148472.db2.gz VIXJBVXWIMHQDD-MRXNPFEDSA-N 0 3 385.420 4.103 20 5 GIBDHN COc1ccc(-c2ccc(CN[C@H]3CCCc4[nH]c(=O)ccc43)o2)c([N+](=O)[O-])c1 ZINC000409480927 823230874 /nfs/dbraw/zinc/23/08/74/823230874.db2.gz YLEIBURXVMOYTO-KRWDZBQOSA-N 0 3 395.415 4.131 20 5 GIBDHN CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000459680161 823249306 /nfs/dbraw/zinc/24/93/06/823249306.db2.gz UYZVMRIAVLGKQQ-RTBURBONSA-N 0 3 378.432 4.413 20 5 GIBDHN COc1ccc(NC(=O)[C@H](C)N[C@@H](c2ccc(F)cc2)C(C)C)c([N+](=O)[O-])c1 ZINC000011102291 818051877 /nfs/dbraw/zinc/05/18/77/818051877.db2.gz GPTXYYSGYPCTST-ORAYPTAESA-N 0 3 389.427 4.056 20 5 GIBDHN CC[C@@H](N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(OC)cc1 ZINC000019625723 818596471 /nfs/dbraw/zinc/59/64/71/818596471.db2.gz KPASGTLWUJIXLY-YVEFUNNKSA-N 0 3 391.855 4.325 20 5 GIBDHN O=C(CN[C@H](Cc1ccccc1)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000024733392 819869776 /nfs/dbraw/zinc/86/97/76/819869776.db2.gz LANSRDNQEUKVDL-HXUWFJFHSA-N 0 3 375.428 4.107 20 5 GIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](C)c1cccc2ccccc21 ZINC000043303413 821388555 /nfs/dbraw/zinc/38/85/55/821388555.db2.gz GIWURZJCACGEAD-GJZGRUSLSA-N 0 3 393.443 4.434 20 5 GIBDHN CC(C)[C@H](Cc1ccc(F)cc1)NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000181667157 821933508 /nfs/dbraw/zinc/93/35/08/821933508.db2.gz MBNBSTNTNNWSID-SFHVURJKSA-N 0 3 384.411 4.141 20 5 GIBDHN C[C@H](N[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)NC(C)(C)C ZINC000178093107 822316181 /nfs/dbraw/zinc/31/61/81/822316181.db2.gz FZEKCVYMSQYVPM-STQMWFEESA-N 0 3 375.494 4.277 20 5 GIBDHN CN(C)Cc1cccc(NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000454320244 822457573 /nfs/dbraw/zinc/45/75/73/822457573.db2.gz RKHSSCDBVFGHNK-GOSISDBHSA-N 0 3 382.464 4.068 20 5 GIBDHN O=C(CN[C@@H](Cc1ccccc1)c1cccs1)Nc1ccccc1[N+](=O)[O-] ZINC000184978312 822720958 /nfs/dbraw/zinc/72/09/58/822720958.db2.gz WHTSNEQBMFCSNQ-KRWDZBQOSA-N 0 3 381.457 4.168 20 5 GIBDHN CCN(CC)[C@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccsc1 ZINC000185006550 822724507 /nfs/dbraw/zinc/72/45/07/822724507.db2.gz JDUTVBULZILWHJ-SCLBCKFNSA-N 0 3 393.484 4.098 20 5 GIBDHN COC(C)(C)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000174595266 822809772 /nfs/dbraw/zinc/80/97/72/822809772.db2.gz DYBWXJWZMBJIHH-UHFFFAOYSA-N 0 3 383.242 4.132 20 5 GIBDHN COc1ccccc1C[C@@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000185887799 822830271 /nfs/dbraw/zinc/83/02/71/822830271.db2.gz SYWUMAHZGLJWRX-GOSISDBHSA-N 0 3 396.447 4.010 20 5 GIBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@@]3(C2)OCc2ccccc23)o1 ZINC000186441972 822896395 /nfs/dbraw/zinc/89/63/95/822896395.db2.gz HYCKYHMBEXCZTC-QFIPXVFZSA-N 0 3 376.412 4.486 20 5 GIBDHN CSc1ccc([C@@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000570479354 823043555 /nfs/dbraw/zinc/04/35/55/823043555.db2.gz DSWVJEDPUPJKAU-QGZVFWFLSA-N 0 3 393.896 4.003 20 5 GIBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H](Cc2ccccc2)C1 ZINC000124095410 823567136 /nfs/dbraw/zinc/56/71/36/823567136.db2.gz KUZXFNXNIKEOFB-DOTOQJQBSA-N 0 3 378.432 4.270 20 5 GIBDHN CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000190424874 823571977 /nfs/dbraw/zinc/57/19/77/823571977.db2.gz IEZWKLKCWHWOJI-PXNSSMCTSA-N 0 3 396.447 4.081 20 5 GIBDHN CCC[C@H](NCc1cccc(CN2CCOCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000163725312 823741969 /nfs/dbraw/zinc/74/19/69/823741969.db2.gz IOJFREOIYAEBFJ-QFIPXVFZSA-N 0 3 383.492 4.058 20 5 GIBDHN O=[N+]([O-])c1ccccc1C[C@@H](NCc1nccn1CCc1ccccc1)C1CC1 ZINC000164248013 823789959 /nfs/dbraw/zinc/78/99/59/823789959.db2.gz OAQSUFJFCFUJPB-OAQYLSRUSA-N 0 3 390.487 4.145 20 5 GIBDHN Cc1c(NC(=O)[C@@H](C)N[C@H](C)c2cccc(N3CCCC3)c2)cccc1[N+](=O)[O-] ZINC000126391672 823854981 /nfs/dbraw/zinc/85/49/81/823854981.db2.gz MZGVPEKIMATRJX-IAGOWNOFSA-N 0 3 396.491 4.181 20 5 GIBDHN CN(c1ccccc1)c1ccc(CN2CC[C@@H](c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000575026910 823892531 /nfs/dbraw/zinc/89/25/31/823892531.db2.gz GTLNRLIJJREBDE-GOSISDBHSA-N 0 3 391.475 4.086 20 5 GIBDHN O=[N+]([O-])c1cccc(CNCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c1 ZINC000065014606 823924607 /nfs/dbraw/zinc/92/46/07/823924607.db2.gz JUVFDKYUOLZSRT-UHFFFAOYSA-N 0 3 376.338 4.089 20 5 GIBDHN COc1ccc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1Br ZINC000175986411 823089102 /nfs/dbraw/zinc/08/91/02/823089102.db2.gz ALIYGSPKQBPUQS-UHFFFAOYSA-N 0 3 379.254 4.391 20 5 GIBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC(OC[C@H]4CCCO4)CC3)o2)cc1 ZINC000122969820 823441821 /nfs/dbraw/zinc/44/18/21/823441821.db2.gz SXCRNCVRPDXXNE-HXUWFJFHSA-N 0 3 386.448 4.015 20 5 GIBDHN CCN(CC)[C@@H](CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)c1ccsc1 ZINC000058824186 823459612 /nfs/dbraw/zinc/45/96/12/823459612.db2.gz ZOAGEQZJAPAZBQ-KRWDZBQOSA-N 0 3 376.482 4.169 20 5 GIBDHN CCN(CC)[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccsc1 ZINC000029415573 820453182 /nfs/dbraw/zinc/45/31/82/820453182.db2.gz LEUJNWWJNAFSOL-INIZCTEOSA-N 0 3 381.885 4.123 20 5 GIBDHN C[C@H](NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178643570 822398951 /nfs/dbraw/zinc/39/89/51/822398951.db2.gz YLCWXQKUCMIUHC-KSZLIROESA-N 0 3 383.492 4.055 20 5 GIBDHN CCOc1ccc([C@H](C)NC[C@H](O)c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000179501795 822492338 /nfs/dbraw/zinc/49/23/38/822492338.db2.gz JNMYZSKPKYEARN-GTNSWQLSSA-N 0 3 382.819 4.170 20 5 GIBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000454940605 822560452 /nfs/dbraw/zinc/56/04/52/822560452.db2.gz IVVMPPBKGWEFLP-MRXNPFEDSA-N 0 3 396.491 4.197 20 5 GIBDHN CC(C)OCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000184158182 822587727 /nfs/dbraw/zinc/58/77/27/822587727.db2.gz SOTCXVQEQAEEPO-UHFFFAOYSA-N 0 3 383.242 4.132 20 5 GIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H](C)c1cc2ccccc2s1 ZINC000184383539 822625747 /nfs/dbraw/zinc/62/57/47/822625747.db2.gz HFNMHPJAUHPDAM-QWHCGFSZSA-N 0 3 399.472 4.496 20 5 GIBDHN CC(=O)N1CC[C@H](N[C@H](C)c2cccc([N+](=O)[O-])c2C)c2ccc(F)cc2C1 ZINC000184520837 822649961 /nfs/dbraw/zinc/64/99/61/822649961.db2.gz LNAJJWOPLIXAEP-VLIAUNLRSA-N 0 3 385.439 4.186 20 5 GIBDHN C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)NCc1ccccc1[N+](=O)[O-] ZINC000180414045 822677678 /nfs/dbraw/zinc/67/76/78/822677678.db2.gz WTHGQJBLIRWGEK-GFCCVEGCSA-N 0 3 397.353 4.000 20 5 GIBDHN Cn1cc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(-c2ccccc2)n1 ZINC000180432016 822680664 /nfs/dbraw/zinc/68/06/64/822680664.db2.gz YUONAKDCQHCVTA-UHFFFAOYSA-N 0 3 392.459 4.039 20 5 GIBDHN C[C@H](NC[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180452146 822684932 /nfs/dbraw/zinc/68/49/32/822684932.db2.gz RTUWKDKRCKNCRU-NJSLBKSFSA-N 0 3 378.856 4.038 20 5 GIBDHN O=[N+]([O-])c1cccc([C@H](NC[C@@H](CCO)c2ccccc2)c2ccccc2)c1 ZINC000180607419 822711156 /nfs/dbraw/zinc/71/11/56/822711156.db2.gz XPNYGQSUBOZDPE-FYYLOGMGSA-N 0 3 376.456 4.440 20 5 GIBDHN Cc1c(NC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000174476218 822794985 /nfs/dbraw/zinc/79/49/85/822794985.db2.gz BPJBUGIKFJPVIR-INIZCTEOSA-N 0 3 382.464 4.032 20 5 GIBDHN C[C@H](NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1nc(C(F)(F)F)cs1 ZINC000569148622 822883960 /nfs/dbraw/zinc/88/39/60/822883960.db2.gz CHNNJRFHUZCPSH-VIFPVBQESA-N 0 3 384.383 4.445 20 5 GIBDHN O=C(CCN[C@@H](CC(F)(F)F)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000411448810 823575528 /nfs/dbraw/zinc/57/55/28/823575528.db2.gz FOJASPRVMBKPTK-HNNXBMFYSA-N 0 3 381.354 4.207 20 5 GIBDHN Cc1cc(NC2CC(N3CCC(C(F)(F)F)CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000461936969 823765250 /nfs/dbraw/zinc/76/52/50/823765250.db2.gz BAIGSXCOSRIKOL-UHFFFAOYSA-N 0 3 375.366 4.260 20 5 GIBDHN COc1cc(CN2CC[C@@H](CC3CC3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000575010555 823887178 /nfs/dbraw/zinc/88/71/78/823887178.db2.gz WPXJWCXRMGNRTE-ZDUSSCGKSA-N 0 3 388.386 4.167 20 5 GIBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000571845099 823244398 /nfs/dbraw/zinc/24/43/98/823244398.db2.gz UMBIUNYDVVTSOB-QGZVFWFLSA-N 0 3 396.491 4.286 20 5 GIBDHN C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(I)cc1 ZINC000037668406 821093852 /nfs/dbraw/zinc/09/38/52/821093852.db2.gz HJFYHLICOIRGEU-NSHDSACASA-N 0 3 382.201 4.050 20 5 GIBDHN Cc1ccc([C@H](C)NCc2ccc(COC3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000181608619 821900969 /nfs/dbraw/zinc/90/09/69/821900969.db2.gz XWBAHEGIOBENGC-KRWDZBQOSA-N 0 3 384.476 4.450 20 5 GIBDHN CCOc1ccc([C@@H](C)NCc2ccc(Cn3cccn3)cc2)cc1[N+](=O)[O-] ZINC000179395673 822476538 /nfs/dbraw/zinc/47/65/38/822476538.db2.gz GFMOURYFVGVXIR-MRXNPFEDSA-N 0 3 380.448 4.089 20 5 GIBDHN O=[N+]([O-])c1ccc(CNCCCc2nc(-c3ccncc3)cs2)c(Cl)c1 ZINC000183755175 822522889 /nfs/dbraw/zinc/52/28/89/822522889.db2.gz YXSBXJQNRWQUIS-UHFFFAOYSA-N 0 3 388.880 4.489 20 5 GIBDHN CC[C@@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)(C)c1ccccc1 ZINC000180012517 822596399 /nfs/dbraw/zinc/59/63/99/822596399.db2.gz OYPPKTUMHCUVGK-GOSISDBHSA-N 0 3 380.448 4.491 20 5 GIBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCS[C@@H]3COCC[C@@H]32)s1 ZINC000180455496 822685482 /nfs/dbraw/zinc/68/54/82/822685482.db2.gz JCYXOVKMEKZJFW-FUHWJXTLSA-N 0 3 376.503 4.030 20 5 GIBDHN Cc1noc([C@H]2CCCN(Cc3cc(=O)oc4ccc5ccccc5c34)C2)n1 ZINC000052861594 822813026 /nfs/dbraw/zinc/81/30/26/822813026.db2.gz JPYBORFYNWBKQA-INIZCTEOSA-N 0 3 375.428 4.017 20 5 GIBDHN COc1ccccc1C[C@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000185887814 822830317 /nfs/dbraw/zinc/83/03/17/822830317.db2.gz SYWUMAHZGLJWRX-SFHVURJKSA-N 0 3 396.447 4.010 20 5 GIBDHN CN1CCC(Oc2ccc(Cl)cc2NC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000456790321 822831222 /nfs/dbraw/zinc/83/12/22/822831222.db2.gz KZTJNHQAJMTYQR-UHFFFAOYSA-N 0 3 395.868 4.035 20 5 GIBDHN C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000187207897 823024991 /nfs/dbraw/zinc/02/49/91/823024991.db2.gz KNMTUWYCEXQCCB-SJKOYZFVSA-N 0 3 395.381 4.035 20 5 GIBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)c1 ZINC000460965589 823552234 /nfs/dbraw/zinc/55/22/34/823552234.db2.gz SLHWQRHARVIBOV-NRFANRHFSA-N 0 3 381.476 4.106 20 5 GIBDHN Cc1cc(NC[C@H](c2ccco2)N2CCCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000060858301 823562892 /nfs/dbraw/zinc/56/28/92/823562892.db2.gz QIGKUQMBDODQBY-GOSISDBHSA-N 0 3 393.447 4.202 20 5 GIBDHN O=C(c1cccc(CN2CCCC2)c1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000461711779 823685886 /nfs/dbraw/zinc/68/58/86/823685886.db2.gz YGCDBVNXYDRNFB-NRFANRHFSA-N 0 3 397.500 4.078 20 5 GIBDHN C[C@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)N1CCc2ccccc2C1 ZINC000462367051 823943497 /nfs/dbraw/zinc/94/34/97/823943497.db2.gz BOPBJOYRBMPKAA-CYBMUJFWSA-N 0 3 377.391 4.055 20 5 GIBDHN c1cncc(CN2CC[C@@H]3[C@@H]2CCN3c2ccc3ccc4cccnc4c3n2)c1 ZINC001164730498 720356331 /nfs/dbraw/zinc/35/63/31/720356331.db2.gz ZTUAZIUJYYCRDA-LEWJYISDSA-N 0 3 381.483 4.031 20 5 GIBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000121299102 823158083 /nfs/dbraw/zinc/15/80/83/823158083.db2.gz DLAPHPLUEFBOAA-GDBMZVCRSA-N 0 3 396.422 4.410 20 5 GIBDHN CSc1cccc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)c1[N+](=O)[O-] ZINC000188096612 823185810 /nfs/dbraw/zinc/18/58/10/823185810.db2.gz DNJMVKTWYWUOFH-GOSISDBHSA-N 0 3 399.516 4.192 20 5 GIBDHN O=[N+]([O-])c1cccc(-c2ccc(CNC[C@H](c3ccco3)N3CCCC3)o2)c1 ZINC000409462269 823225034 /nfs/dbraw/zinc/22/50/34/823225034.db2.gz DJCUPJMRDNNMLS-LJQANCHMSA-N 0 3 381.432 4.375 20 5 GIBDHN Cc1ccc(C(C)C)c(Oc2ccc(CNCCn3cncn3)cc2[N+](=O)[O-])c1 ZINC000409520612 823240007 /nfs/dbraw/zinc/24/00/07/823240007.db2.gz KINYVQGFBJKQKJ-UHFFFAOYSA-N 0 3 395.463 4.200 20 5 GIBDHN CC(C)[C@H](NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000008003821 817979380 /nfs/dbraw/zinc/97/93/80/817979380.db2.gz WICQKMWTEJUXGP-SFHVURJKSA-N 0 3 379.819 4.313 20 5 GIBDHN CCc1nc(C)c([C@H](C)N(C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)s1 ZINC000122163802 823315340 /nfs/dbraw/zinc/31/53/40/823315340.db2.gz VMCDHAFMPHPVPX-AWEZNQCLSA-N 0 3 390.509 4.252 20 5 GIBDHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000017362977 818512450 /nfs/dbraw/zinc/51/24/50/818512450.db2.gz IYRUAMUFNLHFSY-UHFFFAOYSA-N 0 3 395.484 4.204 20 5 GIBDHN CC[C@@H](N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC)cc1 ZINC000019625637 818596327 /nfs/dbraw/zinc/59/63/27/818596327.db2.gz KWJWUNIQOPYQPX-SJKOYZFVSA-N 0 3 391.855 4.325 20 5 GIBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN(Cc2ccccc2)Cc2ccccc2)c1 ZINC000026711301 820135708 /nfs/dbraw/zinc/13/57/08/820135708.db2.gz SBFRLHXKJGWUME-JOCHJYFZSA-N 0 3 392.455 4.037 20 5 GIBDHN CCOCCO[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000180787822 821457856 /nfs/dbraw/zinc/45/78/56/821457856.db2.gz MLEIRNHHMSJWSV-HNNXBMFYSA-N 0 3 394.855 4.136 20 5 GIBDHN C[C@@H](N[C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)NC(C)(C)C ZINC000178093137 822316215 /nfs/dbraw/zinc/31/62/15/822316215.db2.gz FZEKCVYMSQYVPM-CHWSQXEVSA-N 0 3 375.494 4.277 20 5 GIBDHN C[C@H](N[C@@H]1C[C@H]2CCCCN2C1=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000453418763 822360196 /nfs/dbraw/zinc/36/01/96/822360196.db2.gz CRHFUQYMBJXMAS-SQWLQELKSA-N 0 3 385.489 4.127 20 5 GIBDHN C[C@H](NCc1ccc(NC(=O)c2cccnc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178652077 822399663 /nfs/dbraw/zinc/39/96/63/822399663.db2.gz FLXQHMMVSQLIGA-HNNXBMFYSA-N 0 3 376.416 4.093 20 5 GIBDHN C[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CCCO1 ZINC000179398189 822476805 /nfs/dbraw/zinc/47/68/05/822476805.db2.gz XTBHBRMJGZVFOS-LBPRGKRZSA-N 0 3 395.253 4.228 20 5 GIBDHN O=C(C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1)N1CCCCC1 ZINC000179687331 822527624 /nfs/dbraw/zinc/52/76/24/822527624.db2.gz BXTLNVVORUEQMF-UHFFFAOYSA-N 0 3 397.475 4.079 20 5 GIBDHN CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133517 822747677 /nfs/dbraw/zinc/74/76/77/822747677.db2.gz UKFHDPKXMAMLOG-LAUBAEHRSA-N 0 3 398.459 4.061 20 5 GIBDHN COc1cccc([C@@H]2CCCN2Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000124215765 823578201 /nfs/dbraw/zinc/57/82/01/823578201.db2.gz YSULAVJFAXXUTB-NRFANRHFSA-N 0 3 392.459 4.341 20 5 GIBDHN CC(C)(NCCc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1[N+](=O)[O-] ZINC000411758311 823603007 /nfs/dbraw/zinc/60/30/07/823603007.db2.gz NFVBSHNAMNZEPT-UHFFFAOYSA-N 0 3 386.839 4.366 20 5 GIBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000062368811 823629972 /nfs/dbraw/zinc/62/99/72/823629972.db2.gz LJHIDNCQLIICDY-UHFFFAOYSA-N 0 3 390.871 4.152 20 5 GIBDHN Cc1c(NC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000062374561 823630501 /nfs/dbraw/zinc/63/05/01/823630501.db2.gz IEZKUXKWOLQOAP-UHFFFAOYSA-N 0 3 390.871 4.152 20 5 GIBDHN C[C@]1(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCN1Cc1ccccc1 ZINC000163361286 823704101 /nfs/dbraw/zinc/70/41/01/823704101.db2.gz KFBOCQNLDRLSBV-HXUWFJFHSA-N 0 3 387.867 4.033 20 5 GIBDHN COc1ccc(-c2ccc(CN3CCC(c4ccncn4)CC3)o2)c([N+](=O)[O-])c1 ZINC000414472247 823991550 /nfs/dbraw/zinc/99/15/50/823991550.db2.gz RKDNRECVPJGMGO-UHFFFAOYSA-N 0 3 394.431 4.033 20 5 GIBDHN CCN(CC)[C@@H](CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000056399628 823143400 /nfs/dbraw/zinc/14/34/00/823143400.db2.gz QNMQILQYSMASJH-KDOFPFPSSA-N 0 3 390.509 4.100 20 5 GIBDHN CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000459680155 823249202 /nfs/dbraw/zinc/24/92/02/823249202.db2.gz UYZVMRIAVLGKQQ-OALUTQOASA-N 0 3 378.432 4.413 20 5 GIBDHN Cn1cc(CN2CCC(c3ccsc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000188693126 823287134 /nfs/dbraw/zinc/28/71/34/823287134.db2.gz RHTQPXKRGQLKEU-UHFFFAOYSA-N 0 3 382.489 4.436 20 5 GIBDHN CCc1nc(C)c([C@H](C)N(C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)s1 ZINC000122090166 823304900 /nfs/dbraw/zinc/30/49/00/823304900.db2.gz HCELGWAPTNNOCO-AWEZNQCLSA-N 0 3 390.509 4.252 20 5 GIBDHN CC[C@@H](N[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000011048230 818047670 /nfs/dbraw/zinc/04/76/70/818047670.db2.gz BOJVTBPSRAGXPI-BLLLJJGKSA-N 0 3 391.855 4.325 20 5 GIBDHN CC[C@@H](N[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000011048239 818047957 /nfs/dbraw/zinc/04/79/57/818047957.db2.gz BOJVTBPSRAGXPI-MLGOLLRUSA-N 0 3 391.855 4.325 20 5 GIBDHN O=C(C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1)N1CCCC1 ZINC000122478896 823360299 /nfs/dbraw/zinc/36/02/99/823360299.db2.gz JGJWOJSTLQIZCL-UHFFFAOYSA-N 0 3 399.516 4.158 20 5 GIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)c1cccc2ccccc21 ZINC000043303415 821388923 /nfs/dbraw/zinc/38/89/23/821388923.db2.gz GIWURZJCACGEAD-CABCVRRESA-N 0 3 393.443 4.434 20 5 GIBDHN CCOc1ccc([C@H](C)NC[C@@H](O)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000180690190 821396710 /nfs/dbraw/zinc/39/67/10/821396710.db2.gz TUJWROUYOPEUNN-YVEFUNNKSA-N 0 3 398.381 4.397 20 5 GIBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000182825862 822373766 /nfs/dbraw/zinc/37/37/66/822373766.db2.gz IPCSXLFPPNXKJW-QZTJIDSGSA-N 0 3 381.476 4.106 20 5 GIBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000182825878 822373840 /nfs/dbraw/zinc/37/38/40/822373840.db2.gz IPCSXLFPPNXKJW-ZWKOTPCHSA-N 0 3 381.476 4.106 20 5 GIBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000182855128 822379510 /nfs/dbraw/zinc/37/95/10/822379510.db2.gz SEROTEXYONYELD-HNNXBMFYSA-N 0 3 383.448 4.021 20 5 GIBDHN CSc1ccc([C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2C)N(C)C)cc1 ZINC000454193134 822437375 /nfs/dbraw/zinc/43/73/75/822437375.db2.gz CITQJKLCDQUGFL-GOSISDBHSA-N 0 3 388.493 4.050 20 5 GIBDHN COc1ccc(F)cc1[C@H](C)NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000179926389 822578321 /nfs/dbraw/zinc/57/83/21/822578321.db2.gz DMRFNUOKVQFSOL-ZDUSSCGKSA-N 0 3 385.395 4.291 20 5 GIBDHN C[C@@H](NCc1ccc(I)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180422213 822678840 /nfs/dbraw/zinc/67/88/40/822678840.db2.gz DHLLBEDZLWGEOW-LLVKDONJSA-N 0 3 382.201 4.050 20 5 GIBDHN C[C@@H](NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1nc(C(F)(F)F)cs1 ZINC000569148616 822884043 /nfs/dbraw/zinc/88/40/43/822884043.db2.gz CHNNJRFHUZCPSH-SECBINFHSA-N 0 3 384.383 4.445 20 5 GIBDHN CN(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1Br)c1cccc(F)c1 ZINC000461442312 823638457 /nfs/dbraw/zinc/63/84/57/823638457.db2.gz FWDOYCVHJIFWFI-INIZCTEOSA-N 0 3 382.233 4.211 20 5 GIBDHN C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NCc1ccccc1[N+](=O)[O-] ZINC000126637011 823917024 /nfs/dbraw/zinc/91/70/24/823917024.db2.gz XPYQTHUDHRZSLN-LBPRGKRZSA-N 0 3 381.354 4.121 20 5 GIBDHN Cc1c(F)cccc1NC(=O)CCNCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000575742671 823984690 /nfs/dbraw/zinc/98/46/90/823984690.db2.gz LGWDGQMKGGXCGI-UHFFFAOYSA-N 0 3 399.344 4.180 20 5 GIBDHN CC(C)[C@@H](NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000008003822 817979312 /nfs/dbraw/zinc/97/93/12/817979312.db2.gz WICQKMWTEJUXGP-GOSISDBHSA-N 0 3 379.819 4.313 20 5 GIBDHN O=[N+]([O-])c1cccc([C@H](NC[C@@H]2CCN(CC(F)(F)F)C2)c2ccccc2)c1 ZINC000180155024 822628442 /nfs/dbraw/zinc/62/84/42/822628442.db2.gz XVWXTNNYWBIJJX-HNAYVOBHSA-N 0 3 393.409 4.158 20 5 GIBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000054355288 822877927 /nfs/dbraw/zinc/87/79/27/822877927.db2.gz SSICTZOEIGNTQL-HIFRSBDPSA-N 0 3 388.855 4.205 20 5 GIBDHN Cn1nc(CCN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000186485420 822903091 /nfs/dbraw/zinc/90/30/91/822903091.db2.gz ARPDRHUXDRLIAA-QHCPKHFHSA-N 0 3 386.455 4.403 20 5 GIBDHN CC(C)(C)OCc1cc(CN[C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])no1 ZINC000186820565 822961011 /nfs/dbraw/zinc/96/10/11/822961011.db2.gz REOGVLGZTMUAMD-DNVCBOLYSA-N 0 3 387.480 4.399 20 5 GIBDHN CN(C)CCN(Cc1ccsc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000458199772 822967937 /nfs/dbraw/zinc/96/79/37/822967937.db2.gz JQSHNZIYLBSITD-UHFFFAOYSA-N 0 3 389.502 4.075 20 5 GIBDHN C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000187207837 823024894 /nfs/dbraw/zinc/02/48/94/823024894.db2.gz KNMTUWYCEXQCCB-SJCJKPOMSA-N 0 3 395.381 4.035 20 5 GIBDHN O=C(CCN[C@H](CC(F)(F)F)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411446143 823575004 /nfs/dbraw/zinc/57/50/04/823575004.db2.gz BOVKUURKTNNYJZ-MRXNPFEDSA-N 0 3 381.354 4.207 20 5 GIBDHN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](NCCCCF)c1ccccc1 ZINC000461099567 823577037 /nfs/dbraw/zinc/57/70/37/823577037.db2.gz SYGAEMYTYVXJGR-KRWDZBQOSA-N 0 3 379.819 4.267 20 5 GIBDHN Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)N2CCCC2)cc1 ZINC000061503122 823600205 /nfs/dbraw/zinc/60/02/05/823600205.db2.gz KRPIERJVYVILOT-LJQANCHMSA-N 0 3 387.867 4.124 20 5 GIBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000461717038 823686761 /nfs/dbraw/zinc/68/67/61/823686761.db2.gz RDOANIGJSMHKHJ-GOSISDBHSA-N 0 3 398.507 4.035 20 5 GIBDHN CC(C)OCCN1CCC(NC(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000176697631 823270532 /nfs/dbraw/zinc/27/05/32/823270532.db2.gz OTZYRNMPZSYVBC-UHFFFAOYSA-N 0 3 391.515 4.007 20 5 GIBDHN CCc1nc(C)c([C@@H](C)N(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)s1 ZINC000122013652 823293410 /nfs/dbraw/zinc/29/34/10/823293410.db2.gz ZWQMXVJFQLDUEI-CQSZACIVSA-N 0 3 390.509 4.252 20 5 GIBDHN CC(C)[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000008003764 817979242 /nfs/dbraw/zinc/97/92/42/817979242.db2.gz YLNUSRDHBDWNEJ-GOSISDBHSA-N 0 3 379.819 4.313 20 5 GIBDHN CC[C@H](N[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000011048237 818047745 /nfs/dbraw/zinc/04/77/45/818047745.db2.gz BOJVTBPSRAGXPI-WBMJQRKESA-N 0 3 391.855 4.325 20 5 GIBDHN Cc1cc(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000018186130 818555288 /nfs/dbraw/zinc/55/52/88/818555288.db2.gz ZZQKVIISHXFSLN-SFHVURJKSA-N 0 3 387.505 4.168 20 5 GIBDHN C[C@]1(CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)OCCc2sccc21 ZINC000572685699 823382665 /nfs/dbraw/zinc/38/26/65/823382665.db2.gz FBWBHMWFTPOLSN-HXUWFJFHSA-N 0 3 384.457 4.494 20 5 GIBDHN C[C@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Br)cn1 ZINC000573056429 823441481 /nfs/dbraw/zinc/44/14/81/823441481.db2.gz DONYGJBKWWLWRR-JTQLQIEISA-N 0 3 384.661 4.299 20 5 GIBDHN CCOc1ccc([C@@H](C)NC[C@H](O)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000180690138 821396600 /nfs/dbraw/zinc/39/66/00/821396600.db2.gz TUJWROUYOPEUNN-PXAZEXFGSA-N 0 3 398.381 4.397 20 5 GIBDHN CCOc1ccc([C@@H](C)NCc2ccccc2-n2ccc(C)n2)cc1[N+](=O)[O-] ZINC000181402288 821808141 /nfs/dbraw/zinc/80/81/41/821808141.db2.gz OMXKYQIHLDMLMX-MRXNPFEDSA-N 0 3 380.448 4.338 20 5 GIBDHN O=[N+]([O-])c1cccc(CNC2(c3ccc(Br)cc3)CCOCC2)c1 ZINC000052833884 822812434 /nfs/dbraw/zinc/81/24/34/822812434.db2.gz ZAWJMGINDPHJJZ-UHFFFAOYSA-N 0 3 391.265 4.153 20 5 GIBDHN CC(C)[C@H]1OCCC[C@H]1CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000175062956 822876048 /nfs/dbraw/zinc/87/60/48/822876048.db2.gz CERAOQUEVRHCOM-MAUKXSAKSA-N 0 3 375.494 4.259 20 5 GIBDHN CCN(CC)[C@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccsc1 ZINC000175480687 822979084 /nfs/dbraw/zinc/97/90/84/822979084.db2.gz OAWYZEPOQYAWMO-OAHLLOKOSA-N 0 3 381.885 4.123 20 5 GIBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H](Cc2ccccc2)C1 ZINC000124095700 823567375 /nfs/dbraw/zinc/56/73/75/823567375.db2.gz KUZXFNXNIKEOFB-NVXWUHKLSA-N 0 3 378.432 4.270 20 5 GIBDHN C[C@H](N[C@@H](Cc1ccccc1)c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000060942125 823568202 /nfs/dbraw/zinc/56/82/02/823568202.db2.gz UYAAWJAKYVFAQU-UWJYYQICSA-N 0 3 389.455 4.495 20 5 GIBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CN(C)C)cc1F ZINC000412557179 823661941 /nfs/dbraw/zinc/66/19/41/823661941.db2.gz HQIOYSURSIOVKC-UHFFFAOYSA-N 0 3 377.441 4.160 20 5 GIBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000191368710 823677474 /nfs/dbraw/zinc/67/74/74/823677474.db2.gz UJLVQSCGBJIWPL-UHFFFAOYSA-N 0 3 396.491 4.340 20 5 GIBDHN CN(C)[C@H]1CCOc2c(Nc3ncc([N+](=O)[O-])cc3C(F)(F)F)cccc21 ZINC000413261221 823740630 /nfs/dbraw/zinc/74/06/30/823740630.db2.gz FYOLTCHBLLXNBL-AWEZNQCLSA-N 0 3 382.342 4.137 20 5 GIBDHN COc1ccc(CN(C)CCc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000575455126 823972487 /nfs/dbraw/zinc/97/24/87/823972487.db2.gz LFBHFRWUTPADBL-UHFFFAOYSA-N 0 3 379.254 4.040 20 5 GIBDHN CCN(CCN1CCCCCC1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000572107066 823284176 /nfs/dbraw/zinc/28/41/76/823284176.db2.gz HLGGVBVRTZEENB-UHFFFAOYSA-N 0 3 391.515 4.019 20 5 GIBDHN CCc1nc(C)c([C@H](C)N(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)s1 ZINC000122013857 823293357 /nfs/dbraw/zinc/29/33/57/823293357.db2.gz ZWQMXVJFQLDUEI-AWEZNQCLSA-N 0 3 390.509 4.252 20 5 GIBDHN CC[C@H](N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC)cc1 ZINC000019625642 818596635 /nfs/dbraw/zinc/59/66/35/818596635.db2.gz KWJWUNIQOPYQPX-PXAZEXFGSA-N 0 3 391.855 4.325 20 5 GIBDHN CN(C(=O)CN[C@@H](Cc1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000024734777 819870313 /nfs/dbraw/zinc/87/03/13/819870313.db2.gz CVPPRHHXXWGUHH-QFIPXVFZSA-N 0 3 389.455 4.131 20 5 GIBDHN Cc1ccc(CN(C)C)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000177339518 823439926 /nfs/dbraw/zinc/43/99/26/823439926.db2.gz KWNJIZMNONBXAA-UHFFFAOYSA-N 0 3 396.491 4.207 20 5 GIBDHN CSc1ccc([C@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000573161054 823457526 /nfs/dbraw/zinc/45/75/26/823457526.db2.gz GMFTXXMMAJNRGQ-KRWDZBQOSA-N 0 3 393.896 4.003 20 5 GIBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000029178345 820406908 /nfs/dbraw/zinc/40/69/08/820406908.db2.gz OTKMGHCECQBOHG-UZLBHIALSA-N 0 3 399.516 4.029 20 5 GIBDHN COc1cccc([C@@H](CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)N(C)C)c1 ZINC000059368228 823494053 /nfs/dbraw/zinc/49/40/53/823494053.db2.gz OMTFIMKSWWWKES-QGZVFWFLSA-N 0 3 383.370 4.337 20 5 GIBDHN O=C(NC[C@@H](c1cccs1)N1CCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000043342956 821395348 /nfs/dbraw/zinc/39/53/48/821395348.db2.gz CUXUDVLIXYKRKH-HNNXBMFYSA-N 0 3 394.884 4.268 20 5 GIBDHN CCOc1ccc([C@H](C)NC[C@H](O)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000180690155 821396635 /nfs/dbraw/zinc/39/66/35/821396635.db2.gz TUJWROUYOPEUNN-SJCJKPOMSA-N 0 3 398.381 4.397 20 5 GIBDHN CCS(=O)(=O)Nc1ccc([C@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000181234556 821710802 /nfs/dbraw/zinc/71/08/02/821710802.db2.gz RJZQHHXFQBAWRK-LSDHHAIUSA-N 0 3 391.493 4.077 20 5 GIBDHN COc1ccc(NC(=O)CCN[C@H](C)c2cc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000182630470 822330986 /nfs/dbraw/zinc/33/09/86/822330986.db2.gz OEFVBWAZHHBOTI-CYBMUJFWSA-N 0 3 383.404 4.029 20 5 GIBDHN CN1CC[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]1c1ccccc1 ZINC000179045203 822433165 /nfs/dbraw/zinc/43/31/65/822433165.db2.gz MDWUSYXTDJUMPN-PMACEKPBSA-N 0 3 394.500 4.253 20 5 GIBDHN CCOc1ccc([C@H](C)N[C@@H](C)c2ccc(N3CCOC3=O)cc2)cc1[N+](=O)[O-] ZINC000179409041 822478605 /nfs/dbraw/zinc/47/86/05/822478605.db2.gz CKPKZZKEBKNETM-GJZGRUSLSA-N 0 3 399.447 4.362 20 5 GIBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)c1cc2ccccc2s1 ZINC000184364604 822622672 /nfs/dbraw/zinc/62/26/72/822622672.db2.gz FMGXRVTYRPNRDR-GFCCVEGCSA-N 0 3 385.445 4.107 20 5 GIBDHN O=C1Nc2ccccc2C12CCC(NCc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000184665601 822672994 /nfs/dbraw/zinc/67/29/94/822672994.db2.gz KRMWXJCLFIPZKY-UHFFFAOYSA-N 0 3 385.851 4.171 20 5 GIBDHN C[C@@H](OC[C@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000180452124 822684844 /nfs/dbraw/zinc/68/48/44/822684844.db2.gz RTUWKDKRCKNCRU-IQUTYRLHSA-N 0 3 378.856 4.038 20 5 GIBDHN CCN(CC)[C@@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccsc1 ZINC000185006567 822724504 /nfs/dbraw/zinc/72/45/04/822724504.db2.gz JDUTVBULZILWHJ-ACJLOTCBSA-N 0 3 393.484 4.098 20 5 GIBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133674 822747822 /nfs/dbraw/zinc/74/78/22/822747822.db2.gz MPUKAXDGKYUTMY-PLMTUMEDSA-N 0 3 397.475 4.022 20 5 GIBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](c1ccc(Cl)cc1)C(C)C ZINC000054667109 822902891 /nfs/dbraw/zinc/90/28/91/822902891.db2.gz FCHIXADBMHEGEY-SFHVURJKSA-N 0 3 375.856 4.482 20 5 GIBDHN CSc1cccc(C(=O)N(C)C2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000186503351 822905914 /nfs/dbraw/zinc/90/59/14/822905914.db2.gz GLXDVHIJOGHKQH-UHFFFAOYSA-N 0 3 399.516 4.053 20 5 GIBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000186633531 822926764 /nfs/dbraw/zinc/92/67/64/822926764.db2.gz JQFZUZOPQMUZAW-VFNWGFHPSA-N 0 3 382.439 4.168 20 5 GIBDHN CC(C)(C)C(=O)NC[C@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000123851839 823545617 /nfs/dbraw/zinc/54/56/17/823545617.db2.gz QBVNVNBHCACNCJ-MRXNPFEDSA-N 0 3 399.491 4.229 20 5 GIBDHN CC(C)(C)C(=O)NC[C@H]1CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000123863321 823547333 /nfs/dbraw/zinc/54/73/33/823547333.db2.gz XFLIHLOBLVVDTC-MRXNPFEDSA-N 0 3 399.491 4.229 20 5 GIBDHN COc1ccc(CNCc2ccccc2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000061002721 823572056 /nfs/dbraw/zinc/57/20/56/823572056.db2.gz LFWUUQKFGKKFFT-UHFFFAOYSA-N 0 3 378.428 4.472 20 5 GIBDHN Cc1ccc([C@H](C)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000124603379 823610412 /nfs/dbraw/zinc/61/04/12/823610412.db2.gz NFOCBOALZGBERU-OTWHNJEPSA-N 0 3 397.519 4.363 20 5 GIBDHN CC1(C)CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC2(CCCC2)O1 ZINC000190961406 823631022 /nfs/dbraw/zinc/63/10/22/823631022.db2.gz FUUUJICDDQAKAG-UHFFFAOYSA-N 0 3 385.464 4.216 20 5 GIBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cccc(CN2CCCC2)c1 ZINC000064027811 823736953 /nfs/dbraw/zinc/73/69/53/823736953.db2.gz SVMXBDYIQSZYLA-UHFFFAOYSA-N 0 3 381.476 4.241 20 5 GIBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])NCc1nccn1CCc1ccccc1 ZINC000164315785 823795521 /nfs/dbraw/zinc/79/55/21/823795521.db2.gz PLCTYWQSOMPZLV-SFHVURJKSA-N 0 3 378.476 4.145 20 5 GIBDHN CC(C)N(Cc1ccc(C(=O)N2CCCC2)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350089 823798459 /nfs/dbraw/zinc/79/84/59/823798459.db2.gz CZMQFRYYBHNWNW-UHFFFAOYSA-N 0 3 381.476 4.241 20 5 GIBDHN O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)cs2)c1 ZINC000168894695 823906532 /nfs/dbraw/zinc/90/65/32/823906532.db2.gz VFIMDHSPTVYMMP-KURKYZTESA-N 0 3 385.489 4.156 20 5 GIBDHN C[C@@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)N1CCc2ccccc2C1 ZINC000462367052 823943555 /nfs/dbraw/zinc/94/35/55/823943555.db2.gz BOPBJOYRBMPKAA-ZDUSSCGKSA-N 0 3 377.391 4.055 20 5 GIBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000571694777 823220084 /nfs/dbraw/zinc/22/00/84/823220084.db2.gz NGNZWIZHSDWUNI-FQEVSTJZSA-N 0 3 382.464 4.116 20 5 GIBDHN CCCOc1ccc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000188794966 823307420 /nfs/dbraw/zinc/30/74/20/823307420.db2.gz VSVZJDIXJIKBIU-UHFFFAOYSA-N 0 3 394.475 4.382 20 5 GIBDHN CC1CCN([C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)c2cccs2)CC1 ZINC000018180177 818554717 /nfs/dbraw/zinc/55/47/17/818554717.db2.gz QFVZTVCXPXRAEO-QGZVFWFLSA-N 0 3 388.493 4.251 20 5 GIBDHN Cc1ccc(CN(C)C)cc1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000177343515 823440531 /nfs/dbraw/zinc/44/05/31/823440531.db2.gz OMOSWAXOPHXJNP-UHFFFAOYSA-N 0 3 396.472 4.341 20 5 GIBDHN O=c1cc(CN2CCC(OC[C@H]3CCCO3)CC2)c2c(ccc3ccccc32)o1 ZINC000177456554 823466973 /nfs/dbraw/zinc/46/69/73/823466973.db2.gz SDWIJYUPTLLIBB-HXUWFJFHSA-N 0 3 393.483 4.106 20 5 GIBDHN CCN(CC)[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccsc1 ZINC000043347047 821395802 /nfs/dbraw/zinc/39/58/02/821395802.db2.gz IPVFLANDJXDGHR-QGZVFWFLSA-N 0 3 376.482 4.169 20 5 GIBDHN Cc1ccc([C@@H](C)NCc2ccc(COC3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000181608602 821901074 /nfs/dbraw/zinc/90/10/74/821901074.db2.gz XWBAHEGIOBENGC-QGZVFWFLSA-N 0 3 384.476 4.450 20 5 GIBDHN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(OCc2nccn2C)cc1 ZINC000178684858 822402784 /nfs/dbraw/zinc/40/27/84/822402784.db2.gz SPGBYKCCUSYAEV-HOTGVXAUSA-N 0 3 380.448 4.319 20 5 GIBDHN O=[N+]([O-])c1ccc(NC2CCN(Cc3ccc(F)cc3)CC2)c2ccncc21 ZINC000052467208 822800710 /nfs/dbraw/zinc/80/07/10/822800710.db2.gz AZHJOHUNGWBUNZ-UHFFFAOYSA-N 0 3 380.423 4.359 20 5 GIBDHN Cc1c(NC(=O)N(Cc2ccccc2)C2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000175303273 822929924 /nfs/dbraw/zinc/92/99/24/822929924.db2.gz IQYFSXKVRSEYCN-UHFFFAOYSA-N 0 3 382.464 4.032 20 5 GIBDHN CC(C)(C)OCc1cc(CN[C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])no1 ZINC000186820605 822961118 /nfs/dbraw/zinc/96/11/18/822961118.db2.gz REOGVLGZTMUAMD-HNAYVOBHSA-N 0 3 387.480 4.399 20 5 GIBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000124612660 823611089 /nfs/dbraw/zinc/61/10/89/823611089.db2.gz HHBSLPWRMJHOJH-OTWHNJEPSA-N 0 3 397.519 4.363 20 5 GIBDHN CN(C)[C@@H]1CCOc2c(Nc3ncc([N+](=O)[O-])cc3C(F)(F)F)cccc21 ZINC000413261223 823740606 /nfs/dbraw/zinc/74/06/06/823740606.db2.gz FYOLTCHBLLXNBL-CQSZACIVSA-N 0 3 382.342 4.137 20 5 GIBDHN COc1cc(CN2CC[C@H](CC3CC3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000575010554 823887236 /nfs/dbraw/zinc/88/72/36/823887236.db2.gz WPXJWCXRMGNRTE-CYBMUJFWSA-N 0 3 388.386 4.167 20 5 GIBDHN CCN(C(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000126548402 823895850 /nfs/dbraw/zinc/89/58/50/823895850.db2.gz RDQSHMATTRWIFC-MAUKXSAKSA-N 0 3 385.439 4.032 20 5 GIBDHN COc1ccc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1OC(F)F ZINC000192638736 824053251 /nfs/dbraw/zinc/05/32/51/824053251.db2.gz PNRWAWZJCOWARB-INIZCTEOSA-N 0 3 378.375 4.372 20 5 GIBDHN Cc1c(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000072006529 211067256 /nfs/dbraw/zinc/06/72/56/211067256.db2.gz XQCOZCADISXQCX-NRFANRHFSA-N 0 3 381.476 4.106 20 5 GIBDHN CC[C@@H](NCC1=CCN(C(=O)OC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000187743070 823123589 /nfs/dbraw/zinc/12/35/89/823123589.db2.gz GXXUXKKHNFFFBV-GOSISDBHSA-N 0 3 375.469 4.203 20 5 GIBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1cccc2ccccc21 ZINC000008269402 818027335 /nfs/dbraw/zinc/02/73/35/818027335.db2.gz NVLWODZHYVEJCN-AWEZNQCLSA-N 0 3 379.416 4.046 20 5 GIBDHN CC[C@@H](N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccc(Cl)cc1 ZINC000011047057 818047928 /nfs/dbraw/zinc/04/79/28/818047928.db2.gz UNWJSTURQQBKEP-MLGOLLRUSA-N 0 3 391.855 4.325 20 5 GIBDHN CC(C)[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC000015550387 818337819 /nfs/dbraw/zinc/33/78/19/818337819.db2.gz OPQFIGRITCSGHB-SFHVURJKSA-N 0 3 379.819 4.313 20 5 GIBDHN Cc1cc(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000018186131 818555251 /nfs/dbraw/zinc/55/52/51/818555251.db2.gz ZZQKVIISHXFSLN-GOSISDBHSA-N 0 3 387.505 4.168 20 5 GIBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000023738924 818977256 /nfs/dbraw/zinc/97/72/56/818977256.db2.gz JLIRZHCBBNGUSN-UZLBHIALSA-N 0 3 399.516 4.029 20 5 GIBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[C@@](F)(c4ccccc4)C3)o2)c1 ZINC000573340978 823481917 /nfs/dbraw/zinc/48/19/17/823481917.db2.gz MNXFFBNUWRIPJC-NRFANRHFSA-N 0 3 381.407 4.363 20 5 GIBDHN CC1CCN(c2ccc(C(=O)Nc3ccccc3CN(C)C)cc2[N+](=O)[O-])CC1 ZINC000031232646 820774940 /nfs/dbraw/zinc/77/49/40/820774940.db2.gz VNMNTVVXCVFTCH-UHFFFAOYSA-N 0 3 396.491 4.145 20 5 GIBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000182859539 822380564 /nfs/dbraw/zinc/38/05/64/822380564.db2.gz DHKHVDQUDBNJJS-MRXNPFEDSA-N 0 3 399.466 4.132 20 5 GIBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000182861373 822381152 /nfs/dbraw/zinc/38/11/52/822381152.db2.gz YWXBYLBKYQRVMX-QGZVFWFLSA-N 0 3 393.487 4.266 20 5 GIBDHN CC[C@@H](NCCC(=O)Nc1cccc([N+](=O)[O-])c1C)c1cc(F)ccc1F ZINC000179796693 822554643 /nfs/dbraw/zinc/55/46/43/822554643.db2.gz LVVYKFZFRSQMCX-MRXNPFEDSA-N 0 3 377.391 4.251 20 5 GIBDHN O=C1CCCCCN1CCCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000179990703 822592003 /nfs/dbraw/zinc/59/20/03/822592003.db2.gz FBDYLKSRZOALDH-QFIPXVFZSA-N 0 3 381.476 4.067 20 5 GIBDHN CC[C@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)(C)c1ccccc1 ZINC000180012503 822596346 /nfs/dbraw/zinc/59/63/46/822596346.db2.gz OYPPKTUMHCUVGK-SFHVURJKSA-N 0 3 380.448 4.491 20 5 GIBDHN CC[C@@H]1Oc2cc([C@@H](C)N[C@@H]3CCc4c3cccc4[N+](=O)[O-])ccc2NC1=O ZINC000569378683 822913279 /nfs/dbraw/zinc/91/32/79/822913279.db2.gz YOTPHCIZSIRNLX-FXHACXQTSA-N 0 3 381.432 4.042 20 5 GIBDHN Cc1ccc([C@@H](C)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000124603172 823610456 /nfs/dbraw/zinc/61/04/56/823610456.db2.gz NFOCBOALZGBERU-CEXWTWQISA-N 0 3 397.519 4.363 20 5 GIBDHN O=[N+]([O-])c1ccc(-c2nnc(CN[C@H]3CCC[C@H]3Cc3ccccc3)o2)cc1 ZINC000191355216 823675745 /nfs/dbraw/zinc/67/57/45/823675745.db2.gz BEZGPVMHYPVUHO-HKUYNNGSSA-N 0 3 378.432 4.146 20 5 GIBDHN CC[C@H](NCc1ccc(C)nc1-n1cc(Cl)cn1)c1cccc([N+](=O)[O-])c1 ZINC000191532553 823696503 /nfs/dbraw/zinc/69/65/03/823696503.db2.gz NSORZLQYZATWKL-SFHVURJKSA-N 0 3 385.855 4.378 20 5 GIBDHN c1cncc(CN2CC[C@@H]3[C@H]2CCN3c2ccc3ccc4cccnc4c3n2)c1 ZINC001164730500 720355476 /nfs/dbraw/zinc/35/54/76/720355476.db2.gz ZTUAZIUJYYCRDA-NHCUHLMSSA-N 0 3 381.483 4.031 20 5 GIBDHN O=[N+]([O-])c1ccccc1CN1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000120859128 823078581 /nfs/dbraw/zinc/07/85/81/823078581.db2.gz CVMZJBRBXNZUQR-INIZCTEOSA-N 0 3 382.395 4.164 20 5 GIBDHN CNC(=O)c1ccc(CN(C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000121148726 823127476 /nfs/dbraw/zinc/12/74/76/823127476.db2.gz MQYDMMCDUMXEGZ-UHFFFAOYSA-N 0 3 395.484 4.315 20 5 GIBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN(Cc2ccccc2)Cc2ccccc2)c1 ZINC000026711305 820135846 /nfs/dbraw/zinc/13/58/46/820135846.db2.gz SBFRLHXKJGWUME-QFIPXVFZSA-N 0 3 392.455 4.037 20 5 GIBDHN C[C@@]1(CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)OCCc2sccc21 ZINC000573170068 823459533 /nfs/dbraw/zinc/45/95/33/823459533.db2.gz FRMTWLOVLYOWSZ-FQEVSTJZSA-N 0 3 384.457 4.494 20 5 GIBDHN O=c1cc(CN2CCC(OC[C@@H]3CCCO3)CC2)c2c(ccc3ccccc32)o1 ZINC000177456536 823466918 /nfs/dbraw/zinc/46/69/18/823466918.db2.gz SDWIJYUPTLLIBB-FQEVSTJZSA-N 0 3 393.483 4.106 20 5 GIBDHN CCC[C@@H](NCCNC(=O)c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000178170903 822341096 /nfs/dbraw/zinc/34/10/96/822341096.db2.gz UAJZUIWCNVMEMM-GOSISDBHSA-N 0 3 375.856 4.109 20 5 GIBDHN COc1ccccc1NC(=O)C1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182858169 822380164 /nfs/dbraw/zinc/38/01/64/822380164.db2.gz IHHUCJACETUKTQ-MRXNPFEDSA-N 0 3 397.475 4.324 20 5 GIBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000182859560 822380580 /nfs/dbraw/zinc/38/05/80/822380580.db2.gz DHKHVDQUDBNJJS-INIZCTEOSA-N 0 3 399.466 4.132 20 5 GIBDHN CCOc1ccc([C@@H](C)NC[C@@H](O)c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000179501811 822492331 /nfs/dbraw/zinc/49/23/31/822492331.db2.gz JNMYZSKPKYEARN-PIGZYNQJSA-N 0 3 382.819 4.170 20 5 GIBDHN CSc1ccc([C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2C)N(C)C)cc1 ZINC000455174748 822601980 /nfs/dbraw/zinc/60/19/80/822601980.db2.gz VVEJPJJQBDJAOF-SFHVURJKSA-N 0 3 388.493 4.050 20 5 GIBDHN O=[N+]([O-])c1cccc([C@@H](NC[C@H]2CCN(CC(F)(F)F)C2)c2ccccc2)c1 ZINC000180155043 822628491 /nfs/dbraw/zinc/62/84/91/822628491.db2.gz XVWXTNNYWBIJJX-BEFAXECRSA-N 0 3 393.409 4.158 20 5 GIBDHN CC(=O)N1CC[C@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2C)c2ccc(F)cc2C1 ZINC000184520854 822649932 /nfs/dbraw/zinc/64/99/32/822649932.db2.gz LNAJJWOPLIXAEP-XOBRGWDASA-N 0 3 385.439 4.186 20 5 GIBDHN C[C@@](O)(CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccco1 ZINC000174527533 822801356 /nfs/dbraw/zinc/80/13/56/822801356.db2.gz LJUKCSNDGYQMFI-GOSISDBHSA-N 0 3 376.796 4.099 20 5 GIBDHN CCN(CC)[C@@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccsc1 ZINC000175480668 822979070 /nfs/dbraw/zinc/97/90/70/822979070.db2.gz OAWYZEPOQYAWMO-HNNXBMFYSA-N 0 3 381.885 4.123 20 5 GIBDHN COc1ccc([C@H](CN2CCCC2)Nc2ccc([N+](=O)[O-])c(C(C)=O)c2)cc1 ZINC000570473141 823042560 /nfs/dbraw/zinc/04/25/60/823042560.db2.gz TZBMWYJFWUQGAW-FQEVSTJZSA-N 0 3 383.448 4.055 20 5 GIBDHN CSC[C@@H](CCO)NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000124170155 823574041 /nfs/dbraw/zinc/57/40/41/823574041.db2.gz ULMJTGUGIHFTHB-CQSZACIVSA-N 0 3 396.896 4.244 20 5 GIBDHN CC(C)(NCCc1nc(-c2cccc(Cl)c2)no1)c1ccccc1[N+](=O)[O-] ZINC000411753817 823602602 /nfs/dbraw/zinc/60/26/02/823602602.db2.gz DFRFBUJVRUHMNZ-UHFFFAOYSA-N 0 3 386.839 4.366 20 5 GIBDHN C[C@@]1(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCN1Cc1ccccc1 ZINC000163361405 823704063 /nfs/dbraw/zinc/70/40/63/823704063.db2.gz KFBOCQNLDRLSBV-FQEVSTJZSA-N 0 3 387.867 4.033 20 5 GIBDHN Cc1c(NC(=O)[C@@H](C)N[C@@H](C)c2cccc(N3CCCC3)c2)cccc1[N+](=O)[O-] ZINC000126391185 823855080 /nfs/dbraw/zinc/85/50/80/823855080.db2.gz MZGVPEKIMATRJX-DLBZAZTESA-N 0 3 396.491 4.181 20 5 GIBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000121298934 823158046 /nfs/dbraw/zinc/15/80/46/823158046.db2.gz DLAPHPLUEFBOAA-GOEBONIOSA-N 0 3 396.422 4.410 20 5 GIBDHN Cc1cc(N2CCC[C@@H](c3ncc4n3CCCC4)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000409657327 823275453 /nfs/dbraw/zinc/27/54/53/823275453.db2.gz OIWRQMJGNHWVKL-MRXNPFEDSA-N 0 3 391.475 4.368 20 5 GIBDHN Cc1cc(N2CCC[C@H](c3ncc4n3CCCC4)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000409657326 823275563 /nfs/dbraw/zinc/27/55/63/823275563.db2.gz OIWRQMJGNHWVKL-INIZCTEOSA-N 0 3 391.475 4.368 20 5 GIBDHN CC(C)[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000008003763 817979300 /nfs/dbraw/zinc/97/93/00/817979300.db2.gz YLNUSRDHBDWNEJ-SFHVURJKSA-N 0 3 379.819 4.313 20 5 GIBDHN COc1ccc(NC(=O)[C@@H](C)N[C@@H](c2ccc(F)cc2)C(C)C)c([N+](=O)[O-])c1 ZINC000011102296 818052435 /nfs/dbraw/zinc/05/24/35/818052435.db2.gz GPTXYYSGYPCTST-BFUOFWGJSA-N 0 3 389.427 4.056 20 5 GIBDHN CC[C@H](N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(OC)cc1 ZINC000019625728 818596585 /nfs/dbraw/zinc/59/65/85/818596585.db2.gz KPASGTLWUJIXLY-SJCJKPOMSA-N 0 3 391.855 4.325 20 5 GIBDHN CO[C@H](C)[C@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000189116669 823360097 /nfs/dbraw/zinc/36/00/97/823360097.db2.gz PAEFBVVETIGIGI-WDEREUQCSA-N 0 3 383.242 4.130 20 5 GIBDHN O=[N+]([O-])c1cccc(CN2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000022994854 818886332 /nfs/dbraw/zinc/88/63/32/818886332.db2.gz ZVNIICSQUVQULL-UHFFFAOYSA-N 0 3 393.409 4.322 20 5 GIBDHN CCOc1ccccc1C1=CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000410024860 823373633 /nfs/dbraw/zinc/37/36/33/823373633.db2.gz GSFGCMZSJOYSHI-UHFFFAOYSA-N 0 3 395.459 4.111 20 5 GIBDHN O=C(CCNC(c1ccccc1)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000026219225 820070567 /nfs/dbraw/zinc/07/05/67/820070567.db2.gz OCTHZWWVVVTLKV-UHFFFAOYSA-N 0 3 375.428 4.303 20 5 GIBDHN Cc1ccc(NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])c(CN(C)C)c1 ZINC000410486495 823499002 /nfs/dbraw/zinc/49/90/02/823499002.db2.gz SWRHHTLHQYJCQZ-UHFFFAOYSA-N 0 3 381.354 4.236 20 5 GIBDHN O=C(NCCCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000180896144 821521938 /nfs/dbraw/zinc/52/19/38/821521938.db2.gz AWYTWEAQLFMKFX-HXUWFJFHSA-N 0 3 395.484 4.155 20 5 GIBDHN C[C@@H](N[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)NC(C)(C)C ZINC000178093127 822316060 /nfs/dbraw/zinc/31/60/60/822316060.db2.gz FZEKCVYMSQYVPM-QWHCGFSZSA-N 0 3 375.494 4.277 20 5 GIBDHN C[C@H](N[C@H]1C[C@H]2CCCCN2C1=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000453418761 822360160 /nfs/dbraw/zinc/36/01/60/822360160.db2.gz CRHFUQYMBJXMAS-LZWOXQAQSA-N 0 3 385.489 4.127 20 5 GIBDHN CN(C)Cc1cccc(NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000454320247 822457559 /nfs/dbraw/zinc/45/75/59/822457559.db2.gz RKHSSCDBVFGHNK-SFHVURJKSA-N 0 3 382.464 4.068 20 5 GIBDHN CC1(O)CCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000179725128 822535768 /nfs/dbraw/zinc/53/57/68/822535768.db2.gz MSXXUUMMXJRUQS-UHFFFAOYSA-N 0 3 376.840 4.387 20 5 GIBDHN CC[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000179725625 822535917 /nfs/dbraw/zinc/53/59/17/822535917.db2.gz FMCRNJJRFLDJOK-CQSZACIVSA-N 0 3 393.390 4.266 20 5 GIBDHN CC[C@H](NCCC(=O)Nc1cccc([N+](=O)[O-])c1C)c1cc(F)ccc1F ZINC000179796680 822554572 /nfs/dbraw/zinc/55/45/72/822554572.db2.gz LVVYKFZFRSQMCX-INIZCTEOSA-N 0 3 377.391 4.251 20 5 GIBDHN O=[N+]([O-])c1ccc(CNCCCc2nc(-c3ccc(F)cc3)no2)c(Cl)c1 ZINC000184171124 822590352 /nfs/dbraw/zinc/59/03/52/822590352.db2.gz FDDPADQACWOAEP-UHFFFAOYSA-N 0 3 390.802 4.160 20 5 GIBDHN COc1ccc(NC(=O)CN[C@H](C)c2cc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000184354878 822620897 /nfs/dbraw/zinc/62/08/97/822620897.db2.gz AVTVHPWLXRWOSF-GFCCVEGCSA-N 0 3 385.445 4.107 20 5 GIBDHN CC[C@H](NCc1ccc(C(=O)N2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180411003 822677262 /nfs/dbraw/zinc/67/72/62/822677262.db2.gz XTFYAKNDVABXPS-NRFANRHFSA-N 0 3 381.476 4.462 20 5 GIBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCS[C@H]4COCC[C@@H]43)o2)c(Cl)c1 ZINC000180451947 822684827 /nfs/dbraw/zinc/68/48/27/822684827.db2.gz BRMGVUSDPMTTBS-WMZOPIPTSA-N 0 3 394.880 4.215 20 5 GIBDHN CN(C)Cc1ccccc1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050574376 822733826 /nfs/dbraw/zinc/73/38/26/822733826.db2.gz QVSFCCBKGFYHAW-UHFFFAOYSA-N 0 3 382.445 4.032 20 5 GIBDHN CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133518 822747691 /nfs/dbraw/zinc/74/76/91/822747691.db2.gz UKFHDPKXMAMLOG-DYESRHJHSA-N 0 3 398.459 4.061 20 5 GIBDHN CC[C@@H]1Oc2cc([C@@H](C)N[C@H]3CCc4c3cccc4[N+](=O)[O-])ccc2NC1=O ZINC000569378684 822913348 /nfs/dbraw/zinc/91/33/48/822913348.db2.gz YOTPHCIZSIRNLX-GFJSAUFNSA-N 0 3 381.432 4.042 20 5 GIBDHN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000570150972 823010784 /nfs/dbraw/zinc/01/07/84/823010784.db2.gz PKRAPHOPMHUTGA-DVMWJLJYSA-N 0 3 399.491 4.401 20 5 GIBDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000187324398 823043763 /nfs/dbraw/zinc/04/37/63/823043763.db2.gz RARFERPVRFKVNV-KRWDZBQOSA-N 0 3 389.883 4.135 20 5 GIBDHN CC[C@H]1c2ccsc2CCN1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411172349 823554121 /nfs/dbraw/zinc/55/41/21/823554121.db2.gz HDOMEDDPQMGZNH-INIZCTEOSA-N 0 3 389.477 4.003 20 5 GIBDHN Cc1ccc([C@H](CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000061733376 823609838 /nfs/dbraw/zinc/60/98/38/823609838.db2.gz MDXMWABXVTYVHU-FQEVSTJZSA-N 0 3 382.464 4.170 20 5 GIBDHN C[C@H](c1ccncc1)N1CCC(Nc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413205405 823727667 /nfs/dbraw/zinc/72/76/67/823727667.db2.gz OYJXYSQJSAXMPM-OAHLLOKOSA-N 0 3 377.448 4.176 20 5 GIBDHN CCC[C@@H](NCc1cccc(CN2CCOCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000163725404 823742044 /nfs/dbraw/zinc/74/20/44/823742044.db2.gz IOJFREOIYAEBFJ-JOCHJYFZSA-N 0 3 383.492 4.058 20 5 GIBDHN COc1cc(N2CCN(Cc3cccc4ccccc43)CC2)ccc1[N+](=O)[O-] ZINC000462099588 823827579 /nfs/dbraw/zinc/82/75/79/823827579.db2.gz YQSBZGZRNQJBEK-UHFFFAOYSA-N 0 3 377.444 4.079 20 5 GIBDHN CC(C)[C@H](C)NC(=O)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000126790273 823951869 /nfs/dbraw/zinc/95/18/69/823951869.db2.gz SGIKMYJQGLERHN-INIZCTEOSA-N 0 3 399.491 4.228 20 5 GIBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000575887564 824020440 /nfs/dbraw/zinc/02/04/40/824020440.db2.gz AWNSWQHIPKCZCK-AWEZNQCLSA-N 0 3 396.896 4.071 20 5 GIBDHN CC(C)(C)c1ccc(Oc2ccc(CNCCn3cncn3)cc2[N+](=O)[O-])cc1 ZINC000409527429 823241690 /nfs/dbraw/zinc/24/16/90/823241690.db2.gz GSOKKHCBSKCFQW-UHFFFAOYSA-N 0 3 395.463 4.066 20 5 GIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](c1ccc(F)cc1)C(C)C ZINC000011101242 818051975 /nfs/dbraw/zinc/05/19/75/818051975.db2.gz ATDACKOINAQPTR-YJYMSZOUSA-N 0 3 389.427 4.056 20 5 GIBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000023738928 818977410 /nfs/dbraw/zinc/97/74/10/818977410.db2.gz JLIRZHCBBNGUSN-JXFKEZNVSA-N 0 3 399.516 4.029 20 5 GIBDHN Cc1ccc(CN(C)C)cc1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000177301233 823426546 /nfs/dbraw/zinc/42/65/46/823426546.db2.gz CVDYNQXBCUJJBM-UHFFFAOYSA-N 0 3 381.354 4.236 20 5 GIBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000029178346 820406980 /nfs/dbraw/zinc/40/69/80/820406980.db2.gz OTKMGHCECQBOHG-JXFKEZNVSA-N 0 3 399.516 4.029 20 5 GIBDHN CCN(C(=O)c1ccc([N+](=O)[O-])c(C)c1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000060543871 823540311 /nfs/dbraw/zinc/54/03/11/823540311.db2.gz UJMSIQXWDBNKSO-FXAWDEMLSA-N 0 3 381.476 4.201 20 5 GIBDHN Cc1c([C@@H](C)NCc2ccc(COC3CCOCC3)cc2)cccc1[N+](=O)[O-] ZINC000181609142 821901740 /nfs/dbraw/zinc/90/17/40/821901740.db2.gz JQDSKEXQBYIUOE-QGZVFWFLSA-N 0 3 384.476 4.450 20 5 GIBDHN C[C@@H](NCc1ccc(NC(=O)c2cccnc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178652088 822399591 /nfs/dbraw/zinc/39/95/91/822399591.db2.gz FLXQHMMVSQLIGA-OAHLLOKOSA-N 0 3 376.416 4.093 20 5 GIBDHN CCCCN(C)C(=O)C1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000179391850 822476052 /nfs/dbraw/zinc/47/60/52/822476052.db2.gz YBQZJCYOIVFZKT-UHFFFAOYSA-N 0 3 399.491 4.325 20 5 GIBDHN CCOc1ccc([C@@H](C)N[C@H](C)c2ccc(N3CCOC3=O)cc2)cc1[N+](=O)[O-] ZINC000179409051 822478691 /nfs/dbraw/zinc/47/86/91/822478691.db2.gz CKPKZZKEBKNETM-HUUCEWRRSA-N 0 3 399.447 4.362 20 5 GIBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCS[C@H]3COCC[C@@H]32)s1 ZINC000180455474 822685534 /nfs/dbraw/zinc/68/55/34/822685534.db2.gz JCYXOVKMEKZJFW-WMZOPIPTSA-N 0 3 376.503 4.030 20 5 GIBDHN O=[N+]([O-])c1cccc([C@@H](NC[C@H](CCO)c2ccccc2)c2ccccc2)c1 ZINC000180607364 822711171 /nfs/dbraw/zinc/71/11/71/822711171.db2.gz XPNYGQSUBOZDPE-GMAHTHKFSA-N 0 3 376.456 4.440 20 5 GIBDHN C/C=C/C[C@H](CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000185828754 822825036 /nfs/dbraw/zinc/82/50/36/822825036.db2.gz KCDSLTHABXBEAU-QAVQXKDTSA-N 0 3 395.253 4.034 20 5 GIBDHN C[C@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(NC(=O)NC2CC2)cc1 ZINC000570292427 823023141 /nfs/dbraw/zinc/02/31/41/823023141.db2.gz OUCSCPMGGUMZJY-DJJJIMSYSA-N 0 3 380.448 4.217 20 5 GIBDHN CCN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCOC(C)(C)C1 ZINC000570326634 823026129 /nfs/dbraw/zinc/02/61/29/823026129.db2.gz WBBNLNRPPGVYNI-KRWDZBQOSA-N 0 3 375.494 4.498 20 5 GIBDHN O=[N+]([O-])c1cccc(-c2nc(CNCC3(CCO)CCCCC3)cs2)c1 ZINC000175800572 823043516 /nfs/dbraw/zinc/04/35/16/823043516.db2.gz GOMKRWCLEPVTSM-UHFFFAOYSA-N 0 3 375.494 4.141 20 5 GIBDHN O=C(CCN[C@H](CC(F)(F)F)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000411448811 823575516 /nfs/dbraw/zinc/57/55/16/823575516.db2.gz FOJASPRVMBKPTK-OAHLLOKOSA-N 0 3 381.354 4.207 20 5 GIBDHN Cc1ccc([C@H](C)NCCC(=O)Nc2ccc(Cl)cc2F)cc1[N+](=O)[O-] ZINC000411476338 823579291 /nfs/dbraw/zinc/57/92/91/823579291.db2.gz PSWPRRWSDGNJIU-LBPRGKRZSA-N 0 3 379.819 4.375 20 5 GIBDHN O=C(c1cccc(CN2CCCC2)c1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000461711780 823685758 /nfs/dbraw/zinc/68/57/58/823685758.db2.gz YGCDBVNXYDRNFB-OAQYLSRUSA-N 0 3 397.500 4.078 20 5 GIBDHN O=[N+]([O-])c1ccc(NC2CC(N3CCC(C(F)(F)F)CC3)C2)c2cccnc21 ZINC000413256973 823739922 /nfs/dbraw/zinc/73/99/22/823739922.db2.gz AFUIKELDQZZCOP-UHFFFAOYSA-N 0 3 394.397 4.360 20 5 GIBDHN C[C@H](NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ncc(Br)s1 ZINC000571084680 823129594 /nfs/dbraw/zinc/12/95/94/823129594.db2.gz XVKFWALMQISIQI-VIFPVBQESA-N 0 3 395.282 4.188 20 5 GIBDHN O=[N+]([O-])c1cccc(-c2ccc(CNC[C@@H](c3ccco3)N3CCCC3)o2)c1 ZINC000409462265 823225176 /nfs/dbraw/zinc/22/51/76/823225176.db2.gz DJCUPJMRDNNMLS-IBGZPJMESA-N 0 3 381.432 4.375 20 5 GIBDHN C[C@@H]1CCCN(c2ccc(C(=O)Nc3ccccc3CN(C)C)cc2[N+](=O)[O-])C1 ZINC000024809911 819880575 /nfs/dbraw/zinc/88/05/75/819880575.db2.gz HSYYJDVYEFRESA-MRXNPFEDSA-N 0 3 396.491 4.145 20 5 GIBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000029178348 820406918 /nfs/dbraw/zinc/40/69/18/820406918.db2.gz OTKMGHCECQBOHG-OXJNMPFZSA-N 0 3 399.516 4.029 20 5 GIBDHN O=[N+]([O-])c1ccccc1/C=C/CN1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000181119671 821644832 /nfs/dbraw/zinc/64/48/32/821644832.db2.gz RDGTUDRZTYVAEO-HWKANZROSA-N 0 3 380.370 4.160 20 5 GIBDHN CCOc1ccc([C@H](C)N[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000182160856 822124096 /nfs/dbraw/zinc/12/40/96/822124096.db2.gz GPUVYYFUWGGACV-CYFODOTGSA-N 0 3 392.402 4.453 20 5 GIBDHN C[C@H](N[C@@H]1C[C@@H]2CCCCN2C1=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000453418762 822360139 /nfs/dbraw/zinc/36/01/39/822360139.db2.gz CRHFUQYMBJXMAS-OFQRWUPVSA-N 0 3 385.489 4.127 20 5 GIBDHN C[C@H](NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178643599 822398902 /nfs/dbraw/zinc/39/89/02/822398902.db2.gz YLCWXQKUCMIUHC-KURKYZTESA-N 0 3 383.492 4.055 20 5 GIBDHN CSc1ccc([C@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)N(C)C)cc1 ZINC000454140966 822432835 /nfs/dbraw/zinc/43/28/35/822432835.db2.gz FVNYYYLULUDJPU-SFHVURJKSA-N 0 3 388.493 4.050 20 5 GIBDHN CSc1ccc([C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2C)N(C)C)cc1 ZINC000454193135 822437411 /nfs/dbraw/zinc/43/74/11/822437411.db2.gz CITQJKLCDQUGFL-SFHVURJKSA-N 0 3 388.493 4.050 20 5 GIBDHN C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CCCO1 ZINC000179398179 822476826 /nfs/dbraw/zinc/47/68/26/822476826.db2.gz XTBHBRMJGZVFOS-GFCCVEGCSA-N 0 3 395.253 4.228 20 5 GIBDHN Cc1csc([C@H](NCCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C2CC2)n1 ZINC000183506482 822487393 /nfs/dbraw/zinc/48/73/93/822487393.db2.gz PYPSHIOGPCQAHA-GOSISDBHSA-N 0 3 384.461 4.298 20 5 GIBDHN CC[C@@H](N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000184530042 822651937 /nfs/dbraw/zinc/65/19/37/822651937.db2.gz OFXFVRGQXKOFQD-RTWAWAEBSA-N 0 3 385.439 4.268 20 5 GIBDHN C[C@@H](OC[C@@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000180452163 822684893 /nfs/dbraw/zinc/68/48/93/822684893.db2.gz RTUWKDKRCKNCRU-KSMMKXTCSA-N 0 3 378.856 4.038 20 5 GIBDHN O=[N+]([O-])c1cccc([C@H](NC[C@H](CCO)c2ccccc2)c2ccccc2)c1 ZINC000180607399 822711140 /nfs/dbraw/zinc/71/11/40/822711140.db2.gz XPNYGQSUBOZDPE-JTHBVZDNSA-N 0 3 376.456 4.440 20 5 GIBDHN Cc1ccc(CNCc2ccccc2CN(C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000174450673 822791497 /nfs/dbraw/zinc/79/14/97/822791497.db2.gz LIKQXNIHBVIEHG-UHFFFAOYSA-N 0 3 379.460 4.418 20 5 GIBDHN Cc1ccc(OC2CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)cc1C ZINC000053016433 822818811 /nfs/dbraw/zinc/81/88/11/822818811.db2.gz KAZRUXBNGMZQPE-UHFFFAOYSA-N 0 3 397.475 4.084 20 5 GIBDHN O=[N+]([O-])c1ccc(CNC2(c3ccc(Br)cc3)CCOCC2)cc1 ZINC000054394245 822881528 /nfs/dbraw/zinc/88/15/28/822881528.db2.gz MGBVSWCXUXCQHL-UHFFFAOYSA-N 0 3 391.265 4.153 20 5 GIBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000186633512 822926660 /nfs/dbraw/zinc/92/66/60/822926660.db2.gz JQFZUZOPQMUZAW-BTYIYWSLSA-N 0 3 382.439 4.168 20 5 GIBDHN C[C@@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(NC(=O)NC2CC2)cc1 ZINC000570292425 823023143 /nfs/dbraw/zinc/02/31/43/823023143.db2.gz OUCSCPMGGUMZJY-BFUOFWGJSA-N 0 3 380.448 4.217 20 5 GIBDHN O=[N+]([O-])c1ccccc1OCCN1CCC(c2noc3cc(F)ccc32)CC1 ZINC000570366823 823029758 /nfs/dbraw/zinc/02/97/58/823029758.db2.gz HFLXONBDIGKEHB-UHFFFAOYSA-N 0 3 385.395 4.134 20 5 GIBDHN CC(C)(C)C(=O)NC[C@@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000123851610 823545567 /nfs/dbraw/zinc/54/55/67/823545567.db2.gz QBVNVNBHCACNCJ-INIZCTEOSA-N 0 3 399.491 4.229 20 5 GIBDHN CCN(C(=O)c1cc([N+](=O)[O-])ccc1C)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000063704590 823690185 /nfs/dbraw/zinc/69/01/85/823690185.db2.gz JLCHTJWHYMZMOA-PXNSSMCTSA-N 0 3 381.476 4.201 20 5 GIBDHN O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CN2CCC(CO)CC2)cc1 ZINC000127074418 824011845 /nfs/dbraw/zinc/01/18/45/824011845.db2.gz KGFAJSTWVOWLGI-UHFFFAOYSA-N 0 3 376.840 4.245 20 5 GIBDHN c1cncc(CN2CC[C@H]3[C@H]2CCN3c2ccc3ccc4cccnc4c3n2)c1 ZINC001164730502 720356717 /nfs/dbraw/zinc/35/67/17/720356717.db2.gz ZTUAZIUJYYCRDA-RTWAWAEBSA-N 0 3 381.483 4.031 20 5 GIBDHN C[C@@H]1CN(CCCCNC(=O)c2cc3ccccc3c3cccnc23)C[C@H](C)O1 ZINC000176137475 823133198 /nfs/dbraw/zinc/13/31/98/823133198.db2.gz QWBXBKHDEOBNDI-HDICACEKSA-N 0 3 391.515 4.007 20 5 GIBDHN CCN(CC)[C@H](CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000056399629 823143412 /nfs/dbraw/zinc/14/34/12/823143412.db2.gz QNMQILQYSMASJH-RDTXWAMCSA-N 0 3 390.509 4.100 20 5 GIBDHN Cc1ccc(CN(C)C)cc1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000177343539 823440621 /nfs/dbraw/zinc/44/06/21/823440621.db2.gz UUWQIKOAKYOEOX-UHFFFAOYSA-N 0 3 396.472 4.341 20 5 GIBDHN CN(C)[C@H](CNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000029923621 820549313 /nfs/dbraw/zinc/54/93/13/820549313.db2.gz LVAZKJRNJSPEJM-OAHLLOKOSA-N 0 3 398.341 4.237 20 5 GIBDHN COc1ccc(NC(=O)CCN[C@@H](C)c2cc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000182630453 822330788 /nfs/dbraw/zinc/33/07/88/822330788.db2.gz OEFVBWAZHHBOTI-ZDUSSCGKSA-N 0 3 383.404 4.029 20 5 GIBDHN Cc1ccc(NC(=O)C2CCN([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)nc1 ZINC000182860608 822380675 /nfs/dbraw/zinc/38/06/75/822380675.db2.gz RBLDYVWRXYCHHY-INIZCTEOSA-N 0 3 382.464 4.018 20 5 GIBDHN Cc1cc([N+](=O)[O-])ccc1CNCc1ccccc1CN(C)Cc1ccco1 ZINC000183482289 822482857 /nfs/dbraw/zinc/48/28/57/822482857.db2.gz NKZWKHOLOZQMHN-UHFFFAOYSA-N 0 3 379.460 4.418 20 5 GIBDHN CCOc1ccc([C@@H](C)NC[C@H](O)c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000179501721 822492306 /nfs/dbraw/zinc/49/23/06/822492306.db2.gz JNMYZSKPKYEARN-DIFFPNOSSA-N 0 3 382.819 4.170 20 5 GIBDHN CC(=O)N1CC[C@@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2C)c2ccc(F)cc2C1 ZINC000184520819 822649948 /nfs/dbraw/zinc/64/99/48/822649948.db2.gz LNAJJWOPLIXAEP-VBKZILBWSA-N 0 3 385.439 4.186 20 5 GIBDHN CN(C(=O)CN[C@@H](Cc1ccccc1)c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000184997631 822723432 /nfs/dbraw/zinc/72/34/32/822723432.db2.gz MBMVOLSGWCFUFK-IBGZPJMESA-N 0 3 395.484 4.193 20 5 GIBDHN CC[C@@H]1Oc2cc([C@H](C)N[C@H]3CCc4c3cccc4[N+](=O)[O-])ccc2NC1=O ZINC000569378686 822913322 /nfs/dbraw/zinc/91/33/22/822913322.db2.gz YOTPHCIZSIRNLX-UVIMBBFXSA-N 0 3 381.432 4.042 20 5 GIBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000186633573 822926748 /nfs/dbraw/zinc/92/67/48/822926748.db2.gz JQFZUZOPQMUZAW-QVKFZJNVSA-N 0 3 382.439 4.168 20 5 GIBDHN C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000187207877 823025001 /nfs/dbraw/zinc/02/50/01/823025001.db2.gz KNMTUWYCEXQCCB-YVEFUNNKSA-N 0 3 395.381 4.035 20 5 GIBDHN CC(C)(C)C(=O)NC[C@@H]1CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000123863097 823547097 /nfs/dbraw/zinc/54/70/97/823547097.db2.gz XFLIHLOBLVVDTC-INIZCTEOSA-N 0 3 399.491 4.229 20 5 GIBDHN CSC[C@H](CCO)NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000124170394 823574332 /nfs/dbraw/zinc/57/43/32/823574332.db2.gz ULMJTGUGIHFTHB-AWEZNQCLSA-N 0 3 396.896 4.244 20 5 GIBDHN CC(C)(NCCC(=O)Nc1ccccc1C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000411754306 823602644 /nfs/dbraw/zinc/60/26/44/823602644.db2.gz DVVIRONPHVPSKU-UHFFFAOYSA-N 0 3 395.381 4.467 20 5 GIBDHN Cc1c([C@@H](C)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)cccc1[N+](=O)[O-] ZINC000124613364 823611050 /nfs/dbraw/zinc/61/10/50/823611050.db2.gz HAQBGGYTBZSWFP-ZIFCJYIRSA-N 0 3 397.519 4.363 20 5 GIBDHN O=[N+]([O-])c1ccc(-c2nnc(CN[C@@H]3CCC[C@@H]3Cc3ccccc3)o2)cc1 ZINC000191355265 823675736 /nfs/dbraw/zinc/67/57/36/823675736.db2.gz BEZGPVMHYPVUHO-IEBWSBKVSA-N 0 3 378.432 4.146 20 5 GIBDHN O=[N+]([O-])c1cnc(NC2CCN(Cc3ccccc3)CC2)c(C(F)(F)F)c1 ZINC000413023440 823700292 /nfs/dbraw/zinc/70/02/92/823700292.db2.gz IXUIMTPVSYXRQC-UHFFFAOYSA-N 0 3 380.370 4.085 20 5 GIBDHN Cc1c(NC(=O)[C@H](C)N[C@H](C)c2cccc(N3CCCC3)c2)cccc1[N+](=O)[O-] ZINC000126391888 823855224 /nfs/dbraw/zinc/85/52/24/823855224.db2.gz MZGVPEKIMATRJX-SJORKVTESA-N 0 3 396.491 4.181 20 5 GIBDHN CC(C)[C@H](C)NC(=O)C1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000126799088 823953925 /nfs/dbraw/zinc/95/39/25/823953925.db2.gz FNQLYCKAZCMZRM-INIZCTEOSA-N 0 3 399.491 4.228 20 5 GIBDHN O=[N+]([O-])c1ccc(CN2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 ZINC000120854717 823077407 /nfs/dbraw/zinc/07/74/07/823077407.db2.gz BSEHOFGXWVDEPD-INIZCTEOSA-N 0 3 382.395 4.164 20 5 GIBDHN O=[N+]([O-])c1ccccc1CN1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000120872481 823080416 /nfs/dbraw/zinc/08/04/16/823080416.db2.gz MLJHQGHQVZRQCW-MRXNPFEDSA-N 0 3 382.395 4.164 20 5 GIBDHN COc1ccc(NC(=O)CN[C@@H](C)c2cccc3ccccc32)c([N+](=O)[O-])c1 ZINC000008269357 818027343 /nfs/dbraw/zinc/02/73/43/818027343.db2.gz AKXOIBXXFYONRL-AWEZNQCLSA-N 0 3 379.416 4.046 20 5 GIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000011101239 818052011 /nfs/dbraw/zinc/05/20/11/818052011.db2.gz ATDACKOINAQPTR-ORAYPTAESA-N 0 3 389.427 4.056 20 5 GIBDHN CC(C)[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC000015550386 818337601 /nfs/dbraw/zinc/33/76/01/818337601.db2.gz OPQFIGRITCSGHB-GOSISDBHSA-N 0 3 379.819 4.313 20 5 GIBDHN Cc1ccc([C@@H](C)NC(=O)c2oc3ccccc3c2CN(C)C)cc1[N+](=O)[O-] ZINC000177852171 823536398 /nfs/dbraw/zinc/53/63/98/823536398.db2.gz HVCNWUTWFHUEPW-CQSZACIVSA-N 0 3 381.432 4.202 20 5 GIBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000182649123 822338474 /nfs/dbraw/zinc/33/84/74/822338474.db2.gz JTUCNQNBLSXVDH-IRXDYDNUSA-N 0 3 383.496 4.162 20 5 GIBDHN CCOc1cccc2cc([C@@H](C)NCCC(=O)Nc3ccccc3[N+](=O)[O-])oc21 ZINC000182661703 822343014 /nfs/dbraw/zinc/34/30/14/822343014.db2.gz MCNHTOPICRMRRJ-CQSZACIVSA-N 0 3 397.431 4.419 20 5 GIBDHN Cc1ccc(NC(=O)C2CCN([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)nc1 ZINC000182860628 822380889 /nfs/dbraw/zinc/38/08/89/822380889.db2.gz RBLDYVWRXYCHHY-MRXNPFEDSA-N 0 3 382.464 4.018 20 5 GIBDHN Cc1oc2ccccc2c1CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000183924144 822547673 /nfs/dbraw/zinc/54/76/73/822547673.db2.gz OBZLGDVVLAIZKC-UHFFFAOYSA-N 0 3 376.416 4.340 20 5 GIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)c1cc2ccccc2s1 ZINC000184383518 822625798 /nfs/dbraw/zinc/62/57/98/822625798.db2.gz HFNMHPJAUHPDAM-OLZOCXBDSA-N 0 3 399.472 4.496 20 5 GIBDHN Cc1ccc([C@H](C)NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000180276702 822652878 /nfs/dbraw/zinc/65/28/78/822652878.db2.gz IMXNOVNEYOUGKH-AWEZNQCLSA-N 0 3 395.419 4.063 20 5 GIBDHN CC(C)c1noc(CCCN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)n1 ZINC000180411739 822677333 /nfs/dbraw/zinc/67/73/33/822677333.db2.gz WVNKAWVMQXAJOW-FQEVSTJZSA-N 0 3 380.448 4.413 20 5 GIBDHN O=C(CN[C@H](Cc1ccccc1)c1cccs1)Nc1ccccc1[N+](=O)[O-] ZINC000184978329 822720952 /nfs/dbraw/zinc/72/09/52/822720952.db2.gz WHTSNEQBMFCSNQ-QGZVFWFLSA-N 0 3 381.457 4.168 20 5 GIBDHN CC(C)CN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000053222765 822826673 /nfs/dbraw/zinc/82/66/73/822826673.db2.gz DRGGIIBDDZDCJR-UHFFFAOYSA-N 0 3 375.513 4.085 20 5 GIBDHN Cc1ccc(NC(=O)N(Cc2ccccc2)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000175280009 822923019 /nfs/dbraw/zinc/92/30/19/822923019.db2.gz QCBLCWFDYHPPFH-UHFFFAOYSA-N 0 3 382.464 4.032 20 5 GIBDHN O=[N+]([O-])c1cccc(CNC2(c3cccc(Br)c3)CCOCC2)c1 ZINC000055055570 822935575 /nfs/dbraw/zinc/93/55/75/822935575.db2.gz DZUCGDPBAHQXKJ-UHFFFAOYSA-N 0 3 391.265 4.153 20 5 GIBDHN CN(CCCN(C)C(=O)c1cc2ccccc2c2cccnc12)Cc1ccncc1 ZINC000570122166 823007631 /nfs/dbraw/zinc/00/76/31/823007631.db2.gz YWJSOMMVSRMLDH-UHFFFAOYSA-N 0 3 398.510 4.377 20 5 GIBDHN CC[C@@H]1c2ccsc2CCN1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411172353 823554237 /nfs/dbraw/zinc/55/42/37/823554237.db2.gz HDOMEDDPQMGZNH-MRXNPFEDSA-N 0 3 389.477 4.003 20 5 GIBDHN CC(C)c1ccc(C(=O)N(Cc2ccco2)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000190558684 823586410 /nfs/dbraw/zinc/58/64/10/823586410.db2.gz IQCVESJKVVZAIO-UHFFFAOYSA-N 0 3 385.464 4.048 20 5 GIBDHN Cc1c([C@H](C)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)cccc1[N+](=O)[O-] ZINC000124613538 823611153 /nfs/dbraw/zinc/61/11/53/823611153.db2.gz HAQBGGYTBZSWFP-SCTDSRPQSA-N 0 3 397.519 4.363 20 5 GIBDHN O=[N+]([O-])c1ccccc1C[C@H](NCc1nccn1CCc1ccccc1)C1CC1 ZINC000164247893 823789769 /nfs/dbraw/zinc/78/97/69/823789769.db2.gz OAQSUFJFCFUJPB-NRFANRHFSA-N 0 3 390.487 4.145 20 5 GIBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)COc1ccc2ccccc2c1 ZINC000064350161 823798425 /nfs/dbraw/zinc/79/84/25/823798425.db2.gz OMCXCSIVROYGBC-QFIPXVFZSA-N 0 3 394.471 4.398 20 5 GIBDHN CC(C)N(Cc1ccc(OCc2nccn2C)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350814 823799152 /nfs/dbraw/zinc/79/91/52/823799152.db2.gz HRBPYUHXKXYABH-UHFFFAOYSA-N 0 3 394.475 4.318 20 5 GIBDHN O=[N+]([O-])c1cccc(OCCN2CCC(c3noc4cc(F)ccc43)CC2)c1 ZINC000575612494 823979295 /nfs/dbraw/zinc/97/92/95/823979295.db2.gz ROQNUZTUNXTYJP-UHFFFAOYSA-N 0 3 385.395 4.134 20 5 GIBDHN Cc1ccc([C@@H](C)NCC2=CCN(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000187746722 823124336 /nfs/dbraw/zinc/12/43/36/823124336.db2.gz FFVNPRXBZSWKOM-OAHLLOKOSA-N 0 3 375.469 4.121 20 5 GIBDHN O=[N+]([O-])c1ccc(OCCN2CCC(c3noc4cc(F)ccc43)CC2)cc1 ZINC000571724633 823225460 /nfs/dbraw/zinc/22/54/60/823225460.db2.gz AYPZIVZXPBXFNM-UHFFFAOYSA-N 0 3 385.395 4.134 20 5 GIBDHN CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000459680153 823249375 /nfs/dbraw/zinc/24/93/75/823249375.db2.gz UYZVMRIAVLGKQQ-MOPGFXCFSA-N 0 3 378.432 4.413 20 5 GIBDHN CCOc1ccc(NC(=O)CN[C@H](c2ccc(F)cc2)C(C)C)c([N+](=O)[O-])c1 ZINC000015550362 818337743 /nfs/dbraw/zinc/33/77/43/818337743.db2.gz UFRWBGZWNFPFSD-FQEVSTJZSA-N 0 3 389.427 4.058 20 5 GIBDHN O=C(NCCCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000180896122 821521788 /nfs/dbraw/zinc/52/17/88/821521788.db2.gz AWYTWEAQLFMKFX-FQEVSTJZSA-N 0 3 395.484 4.155 20 5 GIBDHN CCS(=O)(=O)Nc1ccc([C@@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000181234534 821710831 /nfs/dbraw/zinc/71/08/31/821710831.db2.gz RJZQHHXFQBAWRK-HUUCEWRRSA-N 0 3 391.493 4.077 20 5 GIBDHN Cc1c([C@H](C)NCc2ccc(COC3CCOCC3)cc2)cccc1[N+](=O)[O-] ZINC000181609163 821901650 /nfs/dbraw/zinc/90/16/50/821901650.db2.gz JQDSKEXQBYIUOE-KRWDZBQOSA-N 0 3 384.476 4.450 20 5 GIBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000454940604 822560555 /nfs/dbraw/zinc/56/05/55/822560555.db2.gz IVVMPPBKGWEFLP-INIZCTEOSA-N 0 3 396.491 4.197 20 5 GIBDHN COc1ccc2oc([C@H](C)NCCC(=O)Nc3ccccc3[N+](=O)[O-])c(C)c2c1 ZINC000184339378 822618344 /nfs/dbraw/zinc/61/83/44/822618344.db2.gz HZKDKNCAKBLZQP-AWEZNQCLSA-N 0 3 397.431 4.337 20 5 GIBDHN CN(C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)C1CCN(C)CC1 ZINC000184781104 822689990 /nfs/dbraw/zinc/68/99/90/822689990.db2.gz WXWKAAGUUKTSGD-UHFFFAOYSA-N 0 3 391.537 4.043 20 5 GIBDHN CN(C)Cc1cccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000050313452 822725027 /nfs/dbraw/zinc/72/50/27/822725027.db2.gz VMZTXEYNHVKCSF-UHFFFAOYSA-N 0 3 382.445 4.032 20 5 GIBDHN CC(C)(C)OCc1cc(CN[C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])no1 ZINC000186820585 822961125 /nfs/dbraw/zinc/96/11/25/822961125.db2.gz REOGVLGZTMUAMD-BEFAXECRSA-N 0 3 387.480 4.399 20 5 GIBDHN Cc1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)c(-n2cc(Cl)cn2)n1 ZINC000191529330 823695919 /nfs/dbraw/zinc/69/59/19/823695919.db2.gz ABMXZXXSDVBHQM-AWEZNQCLSA-N 0 3 385.855 4.297 20 5 GIBDHN O=[N+]([O-])c1ccc2ccnc(NC3CC(N4CCC(C(F)(F)F)CC4)C3)c2c1 ZINC000413274925 823743378 /nfs/dbraw/zinc/74/33/78/823743378.db2.gz XBHOYDXIGYYKTF-UHFFFAOYSA-N 0 3 394.397 4.360 20 5 GIBDHN COCCO[C@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000574827063 823835798 /nfs/dbraw/zinc/83/57/98/823835798.db2.gz OIANGEKNSKZKIS-HNNXBMFYSA-N 0 3 394.855 4.136 20 5 GIBDHN C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)NCc1ccccc1[N+](=O)[O-] ZINC000126637248 823916936 /nfs/dbraw/zinc/91/69/36/823916936.db2.gz XPYQTHUDHRZSLN-GFCCVEGCSA-N 0 3 381.354 4.121 20 5 GIBDHN O=[N+]([O-])c1ccccc1CN1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000120872323 823080024 /nfs/dbraw/zinc/08/00/24/823080024.db2.gz MLJHQGHQVZRQCW-INIZCTEOSA-N 0 3 382.395 4.164 20 5 GIBDHN CCN(CC)[C@@H](CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000056399626 823143384 /nfs/dbraw/zinc/14/33/84/823143384.db2.gz QNMQILQYSMASJH-KSSFIOAISA-N 0 3 390.509 4.100 20 5 GIBDHN CCN(CC)[C@@H](CNC(=O)c1cccc(SC)c1[N+](=O)[O-])c1ccsc1 ZINC000188052903 823178137 /nfs/dbraw/zinc/17/81/37/823178137.db2.gz GPJCTJAWSSLFTL-HNNXBMFYSA-N 0 3 393.534 4.191 20 5 GIBDHN CCCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000460379455 823369859 /nfs/dbraw/zinc/36/98/59/823369859.db2.gz QYTPARNCQXAUOZ-UHFFFAOYSA-N 0 3 387.505 4.160 20 5 GIBDHN C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(OCc2nccn2C)cc1 ZINC000178684898 822402985 /nfs/dbraw/zinc/40/29/85/822402985.db2.gz SPGBYKCCUSYAEV-HZPDHXFCSA-N 0 3 380.448 4.319 20 5 GIBDHN Cc1cc([N+](=O)[O-])ccc1CNCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000183455372 822477500 /nfs/dbraw/zinc/47/75/00/822477500.db2.gz SBVPMYSBASYORZ-UHFFFAOYSA-N 0 3 390.365 4.398 20 5 GIBDHN CC(C)c1ccc(CN2CCC[C@@H](c3nnc4ccccn43)C2)cc1[N+](=O)[O-] ZINC000179778981 822551228 /nfs/dbraw/zinc/55/12/28/822551228.db2.gz QCFHINUHMFUYPB-QGZVFWFLSA-N 0 3 379.464 4.141 20 5 GIBDHN CC(C)c1ccc(CN2CCC[C@H](c3nnc4ccccn43)C2)cc1[N+](=O)[O-] ZINC000179778970 822551244 /nfs/dbraw/zinc/55/12/44/822551244.db2.gz QCFHINUHMFUYPB-KRWDZBQOSA-N 0 3 379.464 4.141 20 5 GIBDHN CC[C@H](N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000184530024 822651867 /nfs/dbraw/zinc/65/18/67/822651867.db2.gz OFXFVRGQXKOFQD-SFTDATJTSA-N 0 3 385.439 4.268 20 5 GIBDHN CN(C(=O)CN[C@H](Cc1ccccc1)c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000184997649 822723386 /nfs/dbraw/zinc/72/33/86/822723386.db2.gz MBMVOLSGWCFUFK-LJQANCHMSA-N 0 3 395.484 4.193 20 5 GIBDHN CN(C)Cc1ccccc1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050574356 822733831 /nfs/dbraw/zinc/73/38/31/822733831.db2.gz QLLGQIXALQMKAR-UHFFFAOYSA-N 0 3 382.445 4.032 20 5 GIBDHN Cc1noc([C@@H]2CCCN(Cc3cc(=O)oc4ccc5ccccc5c34)C2)n1 ZINC000052861593 822813174 /nfs/dbraw/zinc/81/31/74/822813174.db2.gz JPYBORFYNWBKQA-MRXNPFEDSA-N 0 3 375.428 4.017 20 5 GIBDHN CC(C)(C)OCc1cc(CN[C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])no1 ZINC000186820625 822961106 /nfs/dbraw/zinc/96/11/06/822961106.db2.gz REOGVLGZTMUAMD-KXBFYZLASA-N 0 3 387.480 4.399 20 5 GIBDHN COc1cccc([C@H]2CCCN2Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000124215520 823578169 /nfs/dbraw/zinc/57/81/69/823578169.db2.gz YSULAVJFAXXUTB-OAQYLSRUSA-N 0 3 392.459 4.341 20 5 GIBDHN Cc1ccc([C@H](C)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000124603900 823610466 /nfs/dbraw/zinc/61/04/66/823610466.db2.gz NFOCBOALZGBERU-QRVBRYPASA-N 0 3 397.519 4.363 20 5 GIBDHN COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c(OC)c2)N2CCCCC2)cc1 ZINC000462117081 823833844 /nfs/dbraw/zinc/83/38/44/823833844.db2.gz BGXLSVFPKNODGY-HXUWFJFHSA-N 0 3 385.464 4.251 20 5 GIBDHN Cc1c(NC(=O)[C@H](C)N[C@@H](C)c2cccc(N3CCCC3)c2)cccc1[N+](=O)[O-] ZINC000126391454 823855062 /nfs/dbraw/zinc/85/50/62/823855062.db2.gz MZGVPEKIMATRJX-IRXDYDNUSA-N 0 3 396.491 4.181 20 5 GIBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNCc2cccnc2-n2ccnc2)s1 ZINC000171049741 824047428 /nfs/dbraw/zinc/04/74/28/824047428.db2.gz SINXLYBDHXEAJL-UHFFFAOYSA-N 0 3 391.456 4.194 20 5 GIBDHN Cc1c(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000072006530 222202922 /nfs/dbraw/zinc/20/29/22/222202922.db2.gz XQCOZCADISXQCX-OAQYLSRUSA-N 0 3 381.476 4.106 20 5 GIBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@H](CO)c2ccccc2Cl)o1 ZINC000570718495 823075406 /nfs/dbraw/zinc/07/54/06/823075406.db2.gz DUFMXYPWGADVID-CQSZACIVSA-N 0 3 386.835 4.374 20 5 GIBDHN CC[C@H](NCC1=CCN(C(=O)OC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000187743054 823123671 /nfs/dbraw/zinc/12/36/71/823123671.db2.gz GXXUXKKHNFFFBV-SFHVURJKSA-N 0 3 375.469 4.203 20 5 GIBDHN COc1ccc(-c2ccc(CN[C@@H]3CCCc4[nH]c(=O)ccc43)o2)c([N+](=O)[O-])c1 ZINC000409480928 823230911 /nfs/dbraw/zinc/23/09/11/823230911.db2.gz YLEIBURXVMOYTO-QGZVFWFLSA-N 0 3 395.415 4.131 20 5 GIBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000023738920 818977165 /nfs/dbraw/zinc/97/71/65/818977165.db2.gz JLIRZHCBBNGUSN-OXJNMPFZSA-N 0 3 399.516 4.029 20 5 GIBDHN Cc1ccc(CN(C)C)cc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000177359523 823444540 /nfs/dbraw/zinc/44/45/40/823444540.db2.gz JIZJBFAGSXKEFB-UHFFFAOYSA-N 0 3 399.494 4.163 20 5 GIBDHN NC(=O)c1ccc(CN2CCC(c3cccc4ccccc43)CC2)c([N+](=O)[O-])c1 ZINC000058973994 823477754 /nfs/dbraw/zinc/47/77/54/823477754.db2.gz QDSORLOWLXMUNE-UHFFFAOYSA-N 0 3 389.455 4.227 20 5 GIBDHN CCN(CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccsc1 ZINC000031987604 820884835 /nfs/dbraw/zinc/88/48/35/820884835.db2.gz NASFZPUBINTXLP-MRXNPFEDSA-N 0 3 381.885 4.123 20 5 GIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H](C)c1cccc2ccccc21 ZINC000043303417 821388950 /nfs/dbraw/zinc/38/89/50/821388950.db2.gz GIWURZJCACGEAD-LSDHHAIUSA-N 0 3 393.443 4.434 20 5 GIBDHN CCOc1ccc([C@@H](C)NC[C@@H](O)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000180690173 821396412 /nfs/dbraw/zinc/39/64/12/821396412.db2.gz TUJWROUYOPEUNN-SJKOYZFVSA-N 0 3 398.381 4.397 20 5 GIBDHN CN(C)Cc1cccc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000181981356 822052406 /nfs/dbraw/zinc/05/24/06/822052406.db2.gz PPFYEMCUZXABGN-UHFFFAOYSA-N 0 3 379.869 4.041 20 5 GIBDHN CCOc1cccc2cc([C@H](C)NCCC(=O)Nc3ccccc3[N+](=O)[O-])oc21 ZINC000182661719 822342784 /nfs/dbraw/zinc/34/27/84/822342784.db2.gz MCNHTOPICRMRRJ-AWEZNQCLSA-N 0 3 397.431 4.419 20 5 GIBDHN CC(=O)N1CC[C@@H](N[C@H](C)c2cccc([N+](=O)[O-])c2C)c2ccc(F)cc2C1 ZINC000184520801 822649952 /nfs/dbraw/zinc/64/99/52/822649952.db2.gz LNAJJWOPLIXAEP-JLTOFOAXSA-N 0 3 385.439 4.186 20 5 GIBDHN C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)NCc1ccccc1[N+](=O)[O-] ZINC000180414026 822677716 /nfs/dbraw/zinc/67/77/16/822677716.db2.gz WTHGQJBLIRWGEK-LBPRGKRZSA-N 0 3 397.353 4.000 20 5 GIBDHN CC(C)[C@H]1OCCC[C@@H]1CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000175062992 822876055 /nfs/dbraw/zinc/87/60/55/822876055.db2.gz CERAOQUEVRHCOM-CRAIPNDOSA-N 0 3 375.494 4.259 20 5 GIBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000175280541 822923054 /nfs/dbraw/zinc/92/30/54/822923054.db2.gz YUPPJTOSMRACCM-UHFFFAOYSA-N 0 3 382.464 4.032 20 5 GIBDHN C[C@H]1CC(CCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H](C)O1 ZINC000569829084 822973729 /nfs/dbraw/zinc/97/37/29/822973729.db2.gz PQVOMKYJXFJAOL-KBPBESRZSA-N 0 3 375.494 4.402 20 5 GIBDHN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000570150974 823010732 /nfs/dbraw/zinc/01/07/32/823010732.db2.gz PKRAPHOPMHUTGA-QAJUQPOASA-N 0 3 399.491 4.401 20 5 GIBDHN CN(Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)CC1CC(O)C1 ZINC000191156386 823654531 /nfs/dbraw/zinc/65/45/31/823654531.db2.gz YHKZEAGAXFGHAX-UHFFFAOYSA-N 0 3 376.840 4.243 20 5 GIBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])NCc1nccn1CCc1ccccc1 ZINC000164315931 823795532 /nfs/dbraw/zinc/79/55/32/823795532.db2.gz PLCTYWQSOMPZLV-GOSISDBHSA-N 0 3 378.476 4.145 20 5 GIBDHN CCN(C(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000126548641 823895637 /nfs/dbraw/zinc/89/56/37/823895637.db2.gz RDQSHMATTRWIFC-YJBOKZPZSA-N 0 3 385.439 4.032 20 5 GIBDHN CCCN(Cc1cc(F)ccc1[N+](=O)[O-])C1CCN(C(=O)c2ccccc2)CC1 ZINC000170652435 823927313 /nfs/dbraw/zinc/92/73/13/823927313.db2.gz AKSSMLYSGRZPTF-UHFFFAOYSA-N 0 3 399.466 4.251 20 5 GIBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC(c3ccncn3)CC2)s1 ZINC000414469948 823990770 /nfs/dbraw/zinc/99/07/70/823990770.db2.gz KSZQKCFFSIGNSE-UHFFFAOYSA-N 0 3 380.473 4.493 20 5 GIBDHN C[C@H]1CN(CCCCNC(=O)c2cc3ccccc3c3cccnc23)C[C@H](C)O1 ZINC000176137489 823133235 /nfs/dbraw/zinc/13/32/35/823133235.db2.gz QWBXBKHDEOBNDI-ROUUACIJSA-N 0 3 391.515 4.007 20 5 GIBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCCCC[C@H]1c1ccco1 ZINC000121253107 823148345 /nfs/dbraw/zinc/14/83/45/823148345.db2.gz VIXJBVXWIMHQDD-INIZCTEOSA-N 0 3 385.420 4.103 20 5 GIBDHN C[C@H](NCc1cccc(C(N)=O)c1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000122199270 823320707 /nfs/dbraw/zinc/32/07/07/823320707.db2.gz RETLMQGBSUSIQR-ZDUSSCGKSA-N 0 3 381.457 4.273 20 5 GIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](C)c1cc2ccccc2o1 ZINC000182646452 822337728 /nfs/dbraw/zinc/33/77/28/822337728.db2.gz WZSZRVUHOJIQSH-CYBMUJFWSA-N 0 3 383.404 4.029 20 5 GIBDHN C[C@H](N[C@H]1C[C@@H]2CCCCN2C1=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000453418760 822360127 /nfs/dbraw/zinc/36/01/27/822360127.db2.gz CRHFUQYMBJXMAS-DZKIICNBSA-N 0 3 385.489 4.127 20 5 GIBDHN CCOc1ccc([C@H](C)NCc2ccc(Cn3cccn3)cc2)cc1[N+](=O)[O-] ZINC000179395685 822476641 /nfs/dbraw/zinc/47/66/41/822476641.db2.gz GFMOURYFVGVXIR-INIZCTEOSA-N 0 3 380.448 4.089 20 5 GIBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C)c1oc2ccccc2c1C ZINC000183539309 822491956 /nfs/dbraw/zinc/49/19/56/822491956.db2.gz GTYRGGQBOSHDIZ-CQSZACIVSA-N 0 3 397.431 4.337 20 5 GIBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C)c1oc2ccccc2c1C ZINC000183629749 822503428 /nfs/dbraw/zinc/50/34/28/822503428.db2.gz JSTKBNLFHIUWIB-AWEZNQCLSA-N 0 3 397.431 4.337 20 5 GIBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000180119453 822619060 /nfs/dbraw/zinc/61/90/60/822619060.db2.gz ZYXVGBKFYOHSRQ-SFHVURJKSA-N 0 3 387.505 4.128 20 5 GIBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@]3(C2)OCc2ccccc23)o1 ZINC000186441954 822896248 /nfs/dbraw/zinc/89/62/48/822896248.db2.gz HYCKYHMBEXCZTC-JOCHJYFZSA-N 0 3 376.412 4.486 20 5 GIBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000054667107 822902838 /nfs/dbraw/zinc/90/28/38/822902838.db2.gz FCHIXADBMHEGEY-GOSISDBHSA-N 0 3 375.856 4.482 20 5 GIBDHN O=[N+]([O-])c1ccc(CNC2(c3cccc(Br)c3)CCOCC2)cc1 ZINC000055055610 822935726 /nfs/dbraw/zinc/93/57/26/822935726.db2.gz HXWRJDSKSKSPHD-UHFFFAOYSA-N 0 3 391.265 4.153 20 5 GIBDHN C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000187207856 823024908 /nfs/dbraw/zinc/02/49/08/823024908.db2.gz KNMTUWYCEXQCCB-PXAZEXFGSA-N 0 3 395.381 4.035 20 5 GIBDHN COc1ccc(NC(=O)CCNC(C)(C)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000411761801 823603139 /nfs/dbraw/zinc/60/31/39/823603139.db2.gz WGVGIXLKQHJVKQ-UHFFFAOYSA-N 0 3 391.855 4.110 20 5 GIBDHN COCCO[C@@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000574827064 823835573 /nfs/dbraw/zinc/83/55/73/823835573.db2.gz OIANGEKNSKZKIS-OAHLLOKOSA-N 0 3 394.855 4.136 20 5 GIBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@H](CO)c2ccccc2Cl)o1 ZINC000570718494 823075342 /nfs/dbraw/zinc/07/53/42/823075342.db2.gz DUFMXYPWGADVID-AWEZNQCLSA-N 0 3 386.835 4.374 20 5 GIBDHN CC(C)CCOC1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000121603121 823214392 /nfs/dbraw/zinc/21/43/92/823214392.db2.gz ISAQXUXFEQJRRQ-UHFFFAOYSA-N 0 3 386.496 4.022 20 5 GIBDHN CCc1nc(C)c([C@@H](C)N(C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)s1 ZINC000122089970 823304733 /nfs/dbraw/zinc/30/47/33/823304733.db2.gz HCELGWAPTNNOCO-CQSZACIVSA-N 0 3 390.509 4.252 20 5 GIBDHN CC[C@H](N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccc(Cl)cc1 ZINC000011047054 818047649 /nfs/dbraw/zinc/04/76/49/818047649.db2.gz UNWJSTURQQBKEP-WBMJQRKESA-N 0 3 391.855 4.325 20 5 GIBDHN CC[C@H](N[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000011048227 818047841 /nfs/dbraw/zinc/04/78/41/818047841.db2.gz BOJVTBPSRAGXPI-LRDDRELGSA-N 0 3 391.855 4.325 20 5 GIBDHN CC[C@@H](N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(OC)cc1 ZINC000019625733 818596489 /nfs/dbraw/zinc/59/64/89/818596489.db2.gz KPASGTLWUJIXLY-SJKOYZFVSA-N 0 3 391.855 4.325 20 5 GIBDHN CN1CCC[C@@H](CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000177065765 823362778 /nfs/dbraw/zinc/36/27/78/823362778.db2.gz GKHZUYQPVVBTHM-BLLLJJGKSA-N 0 3 393.896 4.123 20 5 GIBDHN O=C(CCNC(c1ccccc1)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000026219229 820070662 /nfs/dbraw/zinc/07/06/62/820070662.db2.gz ZAAXZLQMKAOFEV-UHFFFAOYSA-N 0 3 375.428 4.303 20 5 GIBDHN CC(C)[C@@H](Cc1ccc(F)cc1)NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000181667139 821933447 /nfs/dbraw/zinc/93/34/47/821933447.db2.gz MBNBSTNTNNWSID-GOSISDBHSA-N 0 3 384.411 4.141 20 5 GIBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000047262090 822559566 /nfs/dbraw/zinc/55/95/66/822559566.db2.gz PQVUIXUONFXIOP-ZFWWWQNUSA-N 0 3 388.855 4.055 20 5 GIBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000180119469 822619107 /nfs/dbraw/zinc/61/91/07/822619107.db2.gz ZYXVGBKFYOHSRQ-GOSISDBHSA-N 0 3 387.505 4.128 20 5 GIBDHN O=[N+]([O-])c1cccc([C@H](NCCCOCC2CCOCC2)c2ccccc2)c1 ZINC000180599328 822708646 /nfs/dbraw/zinc/70/86/46/822708646.db2.gz IXUSQANVEHKXBA-JOCHJYFZSA-N 0 3 384.476 4.107 20 5 GIBDHN CC(C)[C@@H]1OCCC[C@H]1CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000175062974 822876097 /nfs/dbraw/zinc/87/60/97/822876097.db2.gz CERAOQUEVRHCOM-YJBOKZPZSA-N 0 3 375.494 4.259 20 5 GIBDHN CC[C@H]1c2ccsc2CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411177628 823554773 /nfs/dbraw/zinc/55/47/73/823554773.db2.gz WHCKTPRSTQABDH-INIZCTEOSA-N 0 3 389.477 4.003 20 5 GIBDHN CN1CCC(N(Cc2ccco2)C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000124165314 823573679 /nfs/dbraw/zinc/57/36/79/823573679.db2.gz HTJHUGCGDWECBV-UHFFFAOYSA-N 0 3 399.491 4.222 20 5 GIBDHN C[C@H](N[C@@H]1CCCC[C@@H]1C(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000124193966 823576322 /nfs/dbraw/zinc/57/63/22/823576322.db2.gz HBDLROJJSZAKCB-XHVZSJERSA-N 0 3 393.793 4.286 20 5 GIBDHN Cc1ccc(NC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000062368730 823630026 /nfs/dbraw/zinc/63/00/26/823630026.db2.gz ABKXVPYAMFTCJM-UHFFFAOYSA-N 0 3 390.871 4.152 20 5 GIBDHN O=[N+]([O-])c1ccc(-c2nnc(CN[C@@H]3CCC[C@H]3Cc3ccccc3)o2)cc1 ZINC000191355250 823675763 /nfs/dbraw/zinc/67/57/63/823675763.db2.gz BEZGPVMHYPVUHO-PKOBYXMFSA-N 0 3 378.432 4.146 20 5 GIBDHN COc1ccc(CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000120719405 823052149 /nfs/dbraw/zinc/05/21/49/823052149.db2.gz RVNZRMBAISERHI-UHFFFAOYSA-N 0 3 392.459 4.169 20 5 GIBDHN CCN(C(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000460131291 823290798 /nfs/dbraw/zinc/29/07/98/823290798.db2.gz ZZMCDVJNWRHGIV-LJQANCHMSA-N 0 3 382.464 4.032 20 5 GIBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC(OC[C@@H]4CCCO4)CC3)o2)cc1 ZINC000122969578 823441854 /nfs/dbraw/zinc/44/18/54/823441854.db2.gz SXCRNCVRPDXXNE-FQEVSTJZSA-N 0 3 386.448 4.015 20 5 GIBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(Cl)c(Cl)c1 ZINC000026226369 820072024 /nfs/dbraw/zinc/07/20/24/820072024.db2.gz QFTXKJZFJBLGTL-UHFFFAOYSA-N 0 3 382.247 4.362 20 5 GIBDHN CCN(CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccsc1 ZINC000123256377 823486213 /nfs/dbraw/zinc/48/62/13/823486213.db2.gz HCSUPWWLHPTEOH-GOSISDBHSA-N 0 3 398.488 4.017 20 5 GIBDHN CCN(CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccsc1 ZINC000031987602 820884671 /nfs/dbraw/zinc/88/46/71/820884671.db2.gz NASFZPUBINTXLP-INIZCTEOSA-N 0 3 381.885 4.123 20 5 GIBDHN CCOc1ccc([C@H](C)N[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000182160820 822123922 /nfs/dbraw/zinc/12/39/22/822123922.db2.gz GPUVYYFUWGGACV-LCIZUOBNSA-N 0 3 392.402 4.453 20 5 GIBDHN C[C@@H](N[C@@H](C)c1ccc(OCc2nccn2C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000178684882 822402978 /nfs/dbraw/zinc/40/29/78/822402978.db2.gz SPGBYKCCUSYAEV-JKSUJKDBSA-N 0 3 380.448 4.319 20 5 GIBDHN CC[C@@H](NCCC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(F)cc1F ZINC000179632985 822516639 /nfs/dbraw/zinc/51/66/39/822516639.db2.gz BBTILVVVWBSKDN-MRXNPFEDSA-N 0 3 377.391 4.251 20 5 GIBDHN O=[N+]([O-])c1cccc([C@H](NC[C@H]2CCN(CC(F)(F)F)C2)c2ccccc2)c1 ZINC000180155060 822628435 /nfs/dbraw/zinc/62/84/35/822628435.db2.gz XVWXTNNYWBIJJX-DNVCBOLYSA-N 0 3 393.409 4.158 20 5 GIBDHN O=[N+]([O-])c1cccc([C@H](NC2CCN(CC(F)(F)F)CC2)c2ccccc2)c1 ZINC000180381870 822673284 /nfs/dbraw/zinc/67/32/84/822673284.db2.gz QXFPRBNOXPUHHO-LJQANCHMSA-N 0 3 393.409 4.301 20 5 GIBDHN Cc1c([C@H](C)NCc2ccc(C(=O)N3CCCCC3)cc2)cccc1[N+](=O)[O-] ZINC000180407949 822676643 /nfs/dbraw/zinc/67/66/43/822676643.db2.gz JKDNAKWMBWIMAF-KRWDZBQOSA-N 0 3 381.476 4.380 20 5 GIBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3CC[C@@]4(C3)OCc3ccccc34)o2)c1 ZINC000186434328 822894791 /nfs/dbraw/zinc/89/47/91/822894791.db2.gz VQVYQMPTTDLQFA-QFIPXVFZSA-N 0 3 376.412 4.486 20 5 GIBDHN Cc1c([C@H](C)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)cccc1[N+](=O)[O-] ZINC000124613843 823611259 /nfs/dbraw/zinc/61/12/59/823611259.db2.gz HAQBGGYTBZSWFP-LMMKCTJWSA-N 0 3 397.519 4.363 20 5 GIBDHN Cc1ccc([C@H](CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000064236929 823777883 /nfs/dbraw/zinc/77/78/83/823777883.db2.gz AJICFSBMCVVCTF-UWJYYQICSA-N 0 3 396.491 4.101 20 5 GIBDHN C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)NCc1ccc([N+](=O)[O-])cc1 ZINC000121129738 823123306 /nfs/dbraw/zinc/12/33/06/823123306.db2.gz AYAOSMIGOBJVRT-GFCCVEGCSA-N 0 3 381.354 4.121 20 5 GIBDHN CCN(C(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000460131290 823290782 /nfs/dbraw/zinc/29/07/82/823290782.db2.gz ZZMCDVJNWRHGIV-IBGZPJMESA-N 0 3 382.464 4.032 20 5 GIBDHN COc1ccc(NC(=O)CN[C@H](C)c2cccc3ccccc32)c([N+](=O)[O-])c1 ZINC000008269360 818027262 /nfs/dbraw/zinc/02/72/62/818027262.db2.gz AKXOIBXXFYONRL-CQSZACIVSA-N 0 3 379.416 4.046 20 5 GIBDHN COc1ccc(NC(=O)[C@H](C)N[C@H](c2ccc(F)cc2)C(C)C)c([N+](=O)[O-])c1 ZINC000011102289 818051907 /nfs/dbraw/zinc/05/19/07/818051907.db2.gz GPTXYYSGYPCTST-DJJJIMSYSA-N 0 3 389.427 4.056 20 5 GIBDHN CCc1nc(C)c([C@@H](C)N(C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)s1 ZINC000122163556 823315316 /nfs/dbraw/zinc/31/53/16/823315316.db2.gz VMCDHAFMPHPVPX-CQSZACIVSA-N 0 3 390.509 4.252 20 5 GIBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](Cc1ccccc1)c1ccccc1 ZINC000019538790 818593965 /nfs/dbraw/zinc/59/39/65/818593965.db2.gz ZASXAJKPWDWOBJ-JOCHJYFZSA-N 0 3 389.455 4.415 20 5 GIBDHN C[C@@]1(CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)OCCc2sccc21 ZINC000572685696 823382874 /nfs/dbraw/zinc/38/28/74/823382874.db2.gz FBWBHMWFTPOLSN-FQEVSTJZSA-N 0 3 384.457 4.494 20 5 GIBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN(CCC(F)(F)F)CC3CC3)o2)c1 ZINC000177172814 823390808 /nfs/dbraw/zinc/39/08/08/823390808.db2.gz BMGZXPXOMYLPLO-UHFFFAOYSA-N 0 3 383.370 4.457 20 5 GIBDHN Cc1ccc(CN(C)C)cc1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000177344606 823440815 /nfs/dbraw/zinc/44/08/15/823440815.db2.gz YERVUFQIKOUKKH-UHFFFAOYSA-N 0 3 391.855 4.026 20 5 GIBDHN CCN(CC)[C@H](CNC(=O)c1cc(SC)ccc1[N+](=O)[O-])c1ccsc1 ZINC000031985611 820884470 /nfs/dbraw/zinc/88/44/70/820884470.db2.gz QJZMNQKWOFIQJF-QGZVFWFLSA-N 0 3 393.534 4.191 20 5 GIBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1CN(C)C ZINC000180719957 821416283 /nfs/dbraw/zinc/41/62/83/821416283.db2.gz JTGGOKSJKTZZJO-UHFFFAOYSA-N 0 3 387.505 4.087 20 5 GIBDHN CCS(=O)(=O)Nc1ccc([C@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000181234511 821711113 /nfs/dbraw/zinc/71/11/13/821711113.db2.gz RJZQHHXFQBAWRK-GJZGRUSLSA-N 0 3 391.493 4.077 20 5 GIBDHN COc1ccccc1NC(=O)C1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182858192 822380348 /nfs/dbraw/zinc/38/03/48/822380348.db2.gz IHHUCJACETUKTQ-INIZCTEOSA-N 0 3 397.475 4.324 20 5 GIBDHN CCOc1ccc([C@H](C)NC[C@@H](O)c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000179501824 822492294 /nfs/dbraw/zinc/49/22/94/822492294.db2.gz JNMYZSKPKYEARN-APPDUMDISA-N 0 3 382.819 4.170 20 5 GIBDHN CCN(CC)[C@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccsc1 ZINC000185006588 822724472 /nfs/dbraw/zinc/72/44/72/822724472.db2.gz JDUTVBULZILWHJ-FZKQIMNGSA-N 0 3 393.484 4.098 20 5 GIBDHN CC[C@@H]1c2ccsc2CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411177630 823554701 /nfs/dbraw/zinc/55/47/01/823554701.db2.gz WHCKTPRSTQABDH-MRXNPFEDSA-N 0 3 389.477 4.003 20 5 GIBDHN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](NCCCCF)c1ccccc1 ZINC000461099568 823576991 /nfs/dbraw/zinc/57/69/91/823576991.db2.gz SYGAEMYTYVXJGR-QGZVFWFLSA-N 0 3 379.819 4.267 20 5 GIBDHN Cc1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(-c2ccnn2C)c1 ZINC000574826870 823835868 /nfs/dbraw/zinc/83/58/68/823835868.db2.gz MOOOFZHFTKYJGL-UHFFFAOYSA-N 0 3 376.460 4.468 20 5 GIBDHN O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)cs2)c1 ZINC000168894518 823906569 /nfs/dbraw/zinc/90/65/69/823906569.db2.gz VFIMDHSPTVYMMP-KSZLIROESA-N 0 3 385.489 4.156 20 5 GIBDHN