smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH]c(SCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nc1Cc1ccccc1 ZINC000004492627 845059669 /nfs/dbraw/zinc/05/96/69/845059669.db2.gz PGISLKQWRCJOLP-UHFFFAOYSA-N 0 1 400.435 4.087 20 5 HIBDMN C[C@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000009801186 845592026 /nfs/dbraw/zinc/59/20/26/845592026.db2.gz SFNBIFNTRQBYCI-VIFPVBQESA-N 0 1 421.841 4.292 20 5 HIBDMN CCc1ccc([C@H](N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000436287595 861593892 /nfs/dbraw/zinc/59/38/92/861593892.db2.gz SVIXYONNPYFQQF-KGVIQGDOSA-N 0 1 411.502 4.220 20 5 HIBDMN O=C(CSc1nc(C=Cc2ccccc2)n[nH]1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000012834630 845893250 /nfs/dbraw/zinc/89/32/50/845893250.db2.gz ACPMCHVUUXMIGM-RMKNXTFCSA-N 0 1 415.862 4.268 20 5 HIBDMN Cc1ccc(C=Cc2n[nH]c(SCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)n2)o1 ZINC000012839437 845894096 /nfs/dbraw/zinc/89/40/96/845894096.db2.gz OGVMQBSAMXFHJJ-FNORWQNLSA-N 0 1 419.850 4.169 20 5 HIBDMN Cc1cc(C(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000017590264 846260477 /nfs/dbraw/zinc/26/04/77/846260477.db2.gz DOTMIMKKQUGCIU-UHFFFAOYSA-N 0 1 421.419 4.270 20 5 HIBDMN COc1cc([C@@H]2Nc3ccccc3C(=O)N2CCc2ccccc2)cc([N+](=O)[O-])c1O ZINC000024079837 846785424 /nfs/dbraw/zinc/78/54/24/846785424.db2.gz UPBOCMKWVANADD-JOCHJYFZSA-N 0 1 419.437 4.118 20 5 HIBDMN COc1cc([C@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc([N+](=O)[O-])c1O ZINC000024080015 846785806 /nfs/dbraw/zinc/78/58/06/846785806.db2.gz SGMYGCBYZBHAQA-NRFANRHFSA-N 0 1 405.410 4.076 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1cccc(Cl)c1Cl ZINC000026224847 847106108 /nfs/dbraw/zinc/10/61/08/847106108.db2.gz GYGDTENWEBCXHM-UHFFFAOYSA-N 0 1 412.273 4.371 20 5 HIBDMN O=[N+]([O-])c1ccc(O)cc1CSc1nnc(-c2ccncc2)n1-c1ccccc1 ZINC000436475184 861819257 /nfs/dbraw/zinc/81/92/57/861819257.db2.gz NKCBGRWLCLTOLY-UHFFFAOYSA-N 0 1 405.439 4.235 20 5 HIBDMN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000032370938 848014272 /nfs/dbraw/zinc/01/42/72/848014272.db2.gz HSEUADDCIXBYDP-UHFFFAOYSA-N 0 1 415.247 4.020 20 5 HIBDMN CCC(=O)c1ccc(O)c(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 ZINC000436651329 861881696 /nfs/dbraw/zinc/88/16/96/861881696.db2.gz DWUPCMMCCWIYKG-UHFFFAOYSA-N 0 1 400.434 4.092 20 5 HIBDMN CCOc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OCC ZINC000042635922 848336125 /nfs/dbraw/zinc/33/61/25/848336125.db2.gz BJYDMGKTEAEHHZ-HZPDHXFCSA-N 0 1 415.490 4.378 20 5 HIBDMN COc1cccc([C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)N2CCCC2)c1 ZINC000043342924 848412321 /nfs/dbraw/zinc/41/23/21/848412321.db2.gz QTOBJKCCVPUAJT-IBGZPJMESA-N 0 1 418.881 4.215 20 5 HIBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000046357233 848831800 /nfs/dbraw/zinc/83/18/00/848831800.db2.gz FNFNLWDAGZQOEH-UHFFFAOYSA-N 0 1 404.348 4.295 20 5 HIBDMN Cc1c(NC(=O)[C@H](C)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000046818076 848942060 /nfs/dbraw/zinc/94/20/60/848942060.db2.gz KIFUJDQAGXMCDW-STQMWFEESA-N 0 1 411.380 4.480 20 5 HIBDMN CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133767 849436056 /nfs/dbraw/zinc/43/60/56/849436056.db2.gz DQUFYSHJACKIST-HRAATJIYSA-N 0 1 417.893 4.286 20 5 HIBDMN O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@@H](c4nc5ccccc5o4)C3)n2)cc1 ZINC000052611810 849602370 /nfs/dbraw/zinc/60/23/70/849602370.db2.gz WFDIWLDVQNYLEZ-OAHLLOKOSA-N 0 1 405.414 4.166 20 5 HIBDMN CCCOc1ccc([C@H](C)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000056161824 850264726 /nfs/dbraw/zinc/26/47/26/850264726.db2.gz OFKKFIMKGKQPMO-JKSUJKDBSA-N 0 1 415.490 4.378 20 5 HIBDMN CCCOc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC ZINC000056161991 850264814 /nfs/dbraw/zinc/26/48/14/850264814.db2.gz PBLSXIVIGBUHBC-CABCVRRESA-N 0 1 401.463 4.070 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000056170616 850269685 /nfs/dbraw/zinc/26/96/85/850269685.db2.gz YQDSOUJYQKXOTN-LSDHHAIUSA-N 0 1 401.463 4.068 20 5 HIBDMN CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000436979293 862157545 /nfs/dbraw/zinc/15/75/45/862157545.db2.gz LICHAWQAQINDBE-VQIMIIECSA-N 0 1 421.856 4.047 20 5 HIBDMN CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000436979293 862157558 /nfs/dbraw/zinc/15/75/58/862157558.db2.gz LICHAWQAQINDBE-VQIMIIECSA-N 0 1 421.856 4.047 20 5 HIBDMN O=C(Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000065156969 852078723 /nfs/dbraw/zinc/07/87/23/852078723.db2.gz WJCOKTQHACIVPG-UHFFFAOYSA-N 0 1 403.373 4.438 20 5 HIBDMN O=C(NC[C@@H](c1cccs1)N1CCCC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437163316 862358491 /nfs/dbraw/zinc/35/84/91/862358491.db2.gz MERXYLTVUSHTPL-HNNXBMFYSA-N 0 1 413.421 4.242 20 5 HIBDMN COc1ccc(CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](C)C2CC2)cc1 ZINC000096981767 852567884 /nfs/dbraw/zinc/56/78/84/852567884.db2.gz PAQFBOVEUWPULP-HNNXBMFYSA-N 0 1 408.458 4.454 20 5 HIBDMN CCCOc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000108416681 852848776 /nfs/dbraw/zinc/84/87/76/852848776.db2.gz BEACFJZNGULRFV-GJZGRUSLSA-N 0 1 401.463 4.070 20 5 HIBDMN COc1ccc2[nH]cc(C3CCN(Cc4cc([N+](=O)[O-])cc5c4OCOC5)CC3)c2c1 ZINC000108972158 852902151 /nfs/dbraw/zinc/90/21/51/852902151.db2.gz FOOAXBVNMXBTNG-UHFFFAOYSA-N 0 1 423.469 4.331 20 5 HIBDMN Cc1sc(C(=O)Nc2ccccc2NS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000109565749 852986280 /nfs/dbraw/zinc/98/62/80/852986280.db2.gz SIDKMGANJPTODZ-UHFFFAOYSA-N 0 1 417.468 4.018 20 5 HIBDMN COc1ccc(-c2n[nH]c(CNC(=O)c3cc4ccccc4c4cccnc34)n2)cc1 ZINC000110978158 853178784 /nfs/dbraw/zinc/17/87/84/853178784.db2.gz QMFNWSDZOHOOSM-UHFFFAOYSA-N 0 1 409.449 4.112 20 5 HIBDMN COc1ccc(-c2nc(CNC(=O)c3cc4ccccc4c4cccnc34)n[nH]2)cc1 ZINC000110978158 853178788 /nfs/dbraw/zinc/17/87/88/853178788.db2.gz QMFNWSDZOHOOSM-UHFFFAOYSA-N 0 1 409.449 4.112 20 5 HIBDMN CCC[C@H](NCc1ccc(C)c([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000237031129 853953357 /nfs/dbraw/zinc/95/33/57/853953357.db2.gz RZTIOZREJBZPHA-NRFANRHFSA-N 0 1 410.518 4.400 20 5 HIBDMN COc1cc(CN[C@H](CO)c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237232727 853987402 /nfs/dbraw/zinc/98/74/02/853987402.db2.gz WUPNLMKNRKGNMH-OAQYLSRUSA-N 0 1 408.454 4.006 20 5 HIBDMN COc1ccc(CN[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cc1[N+](=O)[O-] ZINC000237342492 854009914 /nfs/dbraw/zinc/00/99/14/854009914.db2.gz YXTNMJCNWWECGD-OAHLLOKOSA-N 0 1 406.442 4.102 20 5 HIBDMN COc1ccc(-c2ccc(CN[C@H](C)c3ccc4c(c3)OCCO4)o2)c([N+](=O)[O-])c1 ZINC000237425974 854030878 /nfs/dbraw/zinc/03/08/78/854030878.db2.gz GJWZUSXZYAPWPK-CQSZACIVSA-N 0 1 410.426 4.485 20 5 HIBDMN O=[N+]([O-])c1cccc(-c2nc(CNCCc3nnc(-c4ccccc4)o3)cs2)c1 ZINC000238007022 854132488 /nfs/dbraw/zinc/13/24/88/854132488.db2.gz JZGWGOHYXFCNRX-UHFFFAOYSA-N 0 1 407.455 4.101 20 5 HIBDMN Cc1cc(N2CCCN(C(=O)c3cccc(Cl)c3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302195479 854548185 /nfs/dbraw/zinc/54/81/85/854548185.db2.gz SLBZGPCPVJBFFD-UHFFFAOYSA-N 0 1 424.888 4.457 20 5 HIBDMN Cc1cc(NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302203393 854550151 /nfs/dbraw/zinc/55/01/51/854550151.db2.gz VYVFMOQJYBAORM-NRFANRHFSA-N 0 1 406.442 4.181 20 5 HIBDMN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCc3sccc3[C@H]2c2cccs2)c1 ZINC000302811355 854642793 /nfs/dbraw/zinc/64/27/93/854642793.db2.gz PVSQXTBZSGCIKQ-QRWLVFNGSA-N 0 1 416.524 4.105 20 5 HIBDMN O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000303173126 854800208 /nfs/dbraw/zinc/80/02/08/854800208.db2.gz RLRSYVZRPWFUHB-UHFFFAOYSA-N 0 1 408.805 4.281 20 5 HIBDMN CC(C)[C@@H]1CN(C)CCN1C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000303766309 855184694 /nfs/dbraw/zinc/18/46/94/855184694.db2.gz PRTIITKQHGVZRV-IBGZPJMESA-N 0 1 417.893 4.453 20 5 HIBDMN Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)cc1Br ZINC000410358980 855948818 /nfs/dbraw/zinc/94/88/18/855948818.db2.gz JMOZWZNIFUOZJD-UHFFFAOYSA-N 0 1 419.684 4.428 20 5 HIBDMN CCCOc1ccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(OCCC)c1 ZINC000426003271 856040374 /nfs/dbraw/zinc/04/03/74/856040374.db2.gz ROWVEXLDSCTOLC-UHFFFAOYSA-N 0 1 402.495 4.206 20 5 HIBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])n[nH]1 ZINC000427432337 856817329 /nfs/dbraw/zinc/81/73/29/856817329.db2.gz SRPBCSNKUGVPLX-LSDHHAIUSA-N 0 1 423.473 4.296 20 5 HIBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])n[nH]1 ZINC000427432336 856817498 /nfs/dbraw/zinc/81/74/98/856817498.db2.gz SRPBCSNKUGVPLX-HUUCEWRRSA-N 0 1 423.473 4.296 20 5 HIBDMN O=C(Nc1nc2ccc(F)cc2[nH]1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000428040631 857052237 /nfs/dbraw/zinc/05/22/37/857052237.db2.gz XIQBMWWEJKWULT-UHFFFAOYSA-N 0 1 408.339 4.227 20 5 HIBDMN CCOC(=O)c1csc(C2CCN([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)n1 ZINC000429569328 857754491 /nfs/dbraw/zinc/75/44/91/857754491.db2.gz SDWXEOPMKUVGMB-CQSZACIVSA-N 0 1 403.504 4.477 20 5 HIBDMN COc1ccc(-c2ccc(CN3C[C@H](C)O[C@]4(CCO[C@@H](C)C4)C3)o2)c([N+](=O)[O-])c1 ZINC000430765692 858296017 /nfs/dbraw/zinc/29/60/17/858296017.db2.gz GGEKLFBBSPZTOV-WCJKSRRJSA-N 0 1 416.474 4.022 20 5 HIBDMN CCCN(C(=O)c1cccs1)C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000431158135 858477576 /nfs/dbraw/zinc/47/75/76/858477576.db2.gz HZJOBMNKEMRDBI-UHFFFAOYSA-N 0 1 417.531 4.052 20 5 HIBDMN COc1ccccc1-c1noc(C2CCN(Cc3ccc(C)c([N+](=O)[O-])c3)CC2)n1 ZINC000433021360 859481977 /nfs/dbraw/zinc/48/19/77/859481977.db2.gz QTLONCRLBDGPNN-UHFFFAOYSA-N 0 1 408.458 4.341 20 5 HIBDMN CC(C)c1[nH]nc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000433871139 859944343 /nfs/dbraw/zinc/94/43/43/859944343.db2.gz AGOANZYHCSRYLK-INIZCTEOSA-N 0 1 402.501 4.352 20 5 HIBDMN Cc1ccc(-c2n[nH]c(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)c2C)o1 ZINC000434431710 860348450 /nfs/dbraw/zinc/34/84/50/860348450.db2.gz IAVJCTDNSBJEFS-UHFFFAOYSA-N 0 1 412.449 4.393 20 5 HIBDMN CN(CCCCCO)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000434688321 860461739 /nfs/dbraw/zinc/46/17/39/860461739.db2.gz KZJXSZLTSXOQJN-IBGZPJMESA-N 0 1 405.882 4.022 20 5 HIBDMN COc1ccc(Cl)cc1-c1n[nH]c(SCc2nc3cc([N+](=O)[O-])ccc3o2)n1 ZINC000434809398 860504190 /nfs/dbraw/zinc/50/41/90/860504190.db2.gz OGUHQBBQVFHOHW-UHFFFAOYSA-N 0 1 417.834 4.475 20 5 HIBDMN O=[N+]([O-])c1ccc2oc(CN3CCC[C@@H](c4nc(-c5cccc(F)c5)no4)C3)nc2c1 ZINC000434856731 860525275 /nfs/dbraw/zinc/52/52/75/860525275.db2.gz UKEBTFWBWQPWGK-CQSZACIVSA-N 0 1 423.404 4.305 20 5 HIBDMN CC[C@@H]1C[C@H]1N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000435777481 861052573 /nfs/dbraw/zinc/05/25/73/861052573.db2.gz CVHLWQNJWXIHKG-PJSAGSTRSA-N 0 1 418.291 4.425 20 5 HIBDMN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000435830045 861093115 /nfs/dbraw/zinc/09/31/15/861093115.db2.gz AKTJQNHZUYHRRP-UHFFFAOYSA-N 0 1 411.505 4.076 20 5 HIBDMN O=C(N[C@H](CN1CCCC1)c1ccccc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000435881126 861139637 /nfs/dbraw/zinc/13/96/37/861139637.db2.gz SKNPTLQEPMFKON-XMMPIXPASA-N 0 1 411.505 4.248 20 5 HIBDMN CC1CCN(c2ccc(C(=O)Nc3ccc(-c4nnc[nH]4)cc3F)cc2[N+](=O)[O-])CC1 ZINC000439266323 864685710 /nfs/dbraw/zinc/68/57/10/864685710.db2.gz BMKZBOVWQXKUCN-UHFFFAOYSA-N 0 1 424.436 4.008 20 5 HIBDMN COc1ccc(NC(=O)CCN(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1Cl ZINC000441230010 866306872 /nfs/dbraw/zinc/30/68/72/866306872.db2.gz KUFPBTPKXCSEAJ-UHFFFAOYSA-N 0 1 403.866 4.250 20 5 HIBDMN Cc1ccc([C@H](Cn2ccnc2)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000441370208 866439879 /nfs/dbraw/zinc/43/98/79/866439879.db2.gz HDJVBJQTZKDIAN-RXVVDRJESA-N 0 1 421.501 4.075 20 5 HIBDMN Cc1cc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000443589583 868144633 /nfs/dbraw/zinc/14/46/33/868144633.db2.gz GTABCMJLSWOWPJ-QGZVFWFLSA-N 0 1 424.892 4.095 20 5 HIBDMN O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@H](c4nc5ccc(F)cc5o4)C3)n2)cc1 ZINC000443650334 868242835 /nfs/dbraw/zinc/24/28/35/868242835.db2.gz IJZNVHVQXMKPJG-AWEZNQCLSA-N 0 1 423.404 4.305 20 5 HIBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](COCc2ccccc2)C1 ZINC000444177339 868650439 /nfs/dbraw/zinc/65/04/39/868650439.db2.gz UZYJEEGTGNGAMF-SJLPKXTDSA-N 0 1 408.458 4.245 20 5 HIBDMN Cc1cc(C2CCN(C(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)CC2)n[nH]1 ZINC000444294756 868724333 /nfs/dbraw/zinc/72/43/33/868724333.db2.gz VRLBSIDRCBAHSE-UHFFFAOYSA-N 0 1 422.435 4.011 20 5 HIBDMN Cc1c(NC(=O)CCN[C@@H](C)c2nc3ccccc3n2C(F)F)cccc1[N+](=O)[O-] ZINC000444663586 868941988 /nfs/dbraw/zinc/94/19/88/868941988.db2.gz YXXYSIDNMYDIOS-ZDUSSCGKSA-N 0 1 417.416 4.327 20 5 HIBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000446483583 870395854 /nfs/dbraw/zinc/39/58/54/870395854.db2.gz DBPBBKIULUDTRH-KRWDZBQOSA-N 0 1 410.396 4.346 20 5 HIBDMN 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CC[C@@H](Cc1ccccc1Br)N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000479765125 895065753 /nfs/dbraw/zinc/06/57/53/895065753.db2.gz CHFXTTMCYSZTGU-AWEZNQCLSA-N 0 1 407.264 4.156 20 5 HIBDMN COc1cc(C(=O)Nc2cccc(CN3CCSCC3)c2C)cc([N+](=O)[O-])c1C ZINC000479909630 895257082 /nfs/dbraw/zinc/25/70/82/895257082.db2.gz HHGWEGHAEWTZMD-UHFFFAOYSA-N 0 1 415.515 4.021 20 5 HIBDMN O=C(NCc1nc2ccc(F)cc2[nH]1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000479940355 895291209 /nfs/dbraw/zinc/29/12/09/895291209.db2.gz JZPQEXMHWYYYTQ-UHFFFAOYSA-N 0 1 419.416 4.152 20 5 HIBDMN CCC[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1C)C(=O)N1CCc2sccc2C1 ZINC000482246823 897729465 /nfs/dbraw/zinc/72/94/65/897729465.db2.gz LFPUXBZVEOOISR-QAPCUYQASA-N 0 1 401.532 4.369 20 5 HIBDMN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1cccc(OC)c1)N(C)C ZINC000505501946 914190090 /nfs/dbraw/zinc/19/00/90/914190090.db2.gz AWBKAGJVXDUYIP-IBGZPJMESA-N 0 1 417.531 4.138 20 5 HIBDMN COC(=O)COc1ccc(CN(C)Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000482508951 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WJQCRSXCVJUVIH-INIZCTEOSA-N 0 1 415.247 4.211 20 5 HIBDMN CN(C)Cc1ccnc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)c1 ZINC000490791187 904237757 /nfs/dbraw/zinc/23/77/57/904237757.db2.gz CFWFBSVSKHCHIJ-UHFFFAOYSA-N 0 1 408.483 4.455 20 5 HIBDMN COc1cc(CN2CC[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491227735 904490321 /nfs/dbraw/zinc/49/03/21/904490321.db2.gz HYMOSBNABHNGSA-AWEZNQCLSA-N 0 1 410.392 4.376 20 5 HIBDMN COc1cc([C@H](C)NCc2ccc([N+](=O)[O-])c(OC)c2)ccc1OCc1ccncc1 ZINC000493005798 904982658 /nfs/dbraw/zinc/98/26/58/904982658.db2.gz AGXLSQNREMDTQD-INIZCTEOSA-N 0 1 423.469 4.437 20 5 HIBDMN C[C@]1(CO)CCC[C@@H]1N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000493653156 905181625 /nfs/dbraw/zinc/18/16/25/905181625.db2.gz GSBZEAFIAPZGMX-IRFCIJBXSA-N 0 1 417.893 4.069 20 5 HIBDMN C[C@]1(CO)CCC[C@@H]1N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000493653161 905182790 /nfs/dbraw/zinc/18/27/90/905182790.db2.gz GSBZEAFIAPZGMX-QKNQBKEWSA-N 0 1 417.893 4.069 20 5 HIBDMN 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ZINC000216528231 853855019 /nfs/dbraw/zinc/85/50/19/853855019.db2.gz MOSNSZYTDHMKPI-OAQYLSRUSA-N 0 1 422.485 4.042 20 5 HIBDMN COc1cc(Br)c(CNC/C=C/c2ccccc2[N+](=O)[O-])cc1OC ZINC000237182039 853977249 /nfs/dbraw/zinc/97/72/49/853977249.db2.gz JGVINOQUSINJNY-FNORWQNLSA-N 0 1 407.264 4.178 20 5 HIBDMN C[C@@H](NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)NC(C)(C)C ZINC000237405367 854025940 /nfs/dbraw/zinc/02/59/40/854025940.db2.gz GYSWLXCKRJMVAT-CYBMUJFWSA-N 0 1 405.882 4.433 20 5 HIBDMN COc1ccc(-c2ccc(CN[C@@H](C)c3ccc(-n4cncn4)cc3)o2)c([N+](=O)[O-])c1 ZINC000237423504 854029688 /nfs/dbraw/zinc/02/96/88/854029688.db2.gz OKRYZRNIZTYOFM-HNNXBMFYSA-N 0 1 419.441 4.295 20 5 HIBDMN COc1ccc(CNCc2cn(-c3ccccc3)nc2-c2ccncc2)cc1[N+](=O)[O-] ZINC000237543611 854052424 /nfs/dbraw/zinc/05/24/24/854052424.db2.gz FVIUHZYMLQXMSK-UHFFFAOYSA-N 0 1 415.453 4.141 20 5 HIBDMN C[C@H](NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C(=O)N1CCCC[C@H]1C ZINC000237660256 854070210 /nfs/dbraw/zinc/07/02/10/854070210.db2.gz DJNHLNIBWQBAJC-CVEARBPZSA-N 0 1 415.465 4.405 20 5 HIBDMN O=[N+]([O-])c1ccc(-c2ccc(CNCc3ccc(-n4cncn4)cc3)o2)c(Cl)c1 ZINC000237819519 854103085 /nfs/dbraw/zinc/10/30/85/854103085.db2.gz BLUSGMRDXYLRLP-UHFFFAOYSA-N 0 1 409.833 4.379 20 5 HIBDMN CN1CCN(C[C@@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)c2ccccc2)CC1 ZINC000301861912 854478688 /nfs/dbraw/zinc/47/86/88/854478688.db2.gz LCSYVZDFEVJKOX-OAQYLSRUSA-N 0 1 417.513 4.057 20 5 HIBDMN Cc1cc(N2CCC(C(=O)NCCc3cccs3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302192500 854547319 /nfs/dbraw/zinc/54/73/19/854547319.db2.gz RJIXJASFVWAMKJ-UHFFFAOYSA-N 0 1 424.526 4.088 20 5 HIBDMN COc1ccc([C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c2ccc(F)cc2)cc1 ZINC000303044191 854737506 /nfs/dbraw/zinc/73/75/06/854737506.db2.gz WVMSUDHCFNBLSH-HXUWFJFHSA-N 0 1 420.400 4.138 20 5 HIBDMN Cc1c(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)cccc1[N+](=O)[O-] ZINC000303341371 854882253 /nfs/dbraw/zinc/88/22/53/854882253.db2.gz WFCDJKNSPZRPTH-UHFFFAOYSA-N 0 1 401.894 4.199 20 5 HIBDMN CCCN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000303920234 855291789 /nfs/dbraw/zinc/29/17/89/855291789.db2.gz VRKYBXMYEVBUQX-MSOLQXFVSA-N 0 1 400.479 4.061 20 5 HIBDMN C[C@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ncc(Br)cc1F ZINC000427894386 856996730 /nfs/dbraw/zinc/99/67/30/856996730.db2.gz QNGIVDVZLNXIHX-VIFPVBQESA-N 0 1 402.651 4.438 20 5 HIBDMN CCOC(=O)c1csc(C2CCN([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)n1 ZINC000429569326 857754629 /nfs/dbraw/zinc/75/46/29/857754629.db2.gz SDWXEOPMKUVGMB-AWEZNQCLSA-N 0 1 403.504 4.477 20 5 HIBDMN CC[C@@H](CS(=O)(=O)c1ccccc1)N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433297987 859623805 /nfs/dbraw/zinc/62/38/05/859623805.db2.gz MYRDXSXJWIVCGO-YWZLYKJASA-N 0 1 402.516 4.159 20 5 HIBDMN CC(C)c1[nH]nc(C(=O)N(Cc2cccc(Br)c2)C2CC2)c1[N+](=O)[O-] ZINC000433698696 859842424 /nfs/dbraw/zinc/84/24/24/859842424.db2.gz YRBYXBJLVCRCIW-UHFFFAOYSA-N 0 1 407.268 4.009 20 5 HIBDMN CC(C)[C@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1cccnc1 ZINC000433742558 859869979 /nfs/dbraw/zinc/86/99/79/859869979.db2.gz PHLHZUBHDNORBG-ZDUSSCGKSA-N 0 1 418.302 4.015 20 5 HIBDMN CC(C)c1[nH]nc(C(=O)N(C)CCCCCc2cc(-c3ccccc3)n[nH]2)c1[N+](=O)[O-] ZINC000433843816 859929118 /nfs/dbraw/zinc/92/91/18/859929118.db2.gz WLXARNOQTCVWFC-UHFFFAOYSA-N 0 1 424.505 4.316 20 5 HIBDMN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC(c3cnc[nH]3)CC2)cc1 ZINC000434301978 860264832 /nfs/dbraw/zinc/26/48/32/860264832.db2.gz SLGDPGLSIQGEMC-UHFFFAOYSA-N 0 1 422.441 4.139 20 5 HIBDMN Cc1cc(OCC(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)ccc1[N+](=O)[O-] ZINC000435409056 860790052 /nfs/dbraw/zinc/79/00/52/860790052.db2.gz ASFQZAQHXPDBGR-QHCPKHFHSA-N 0 1 416.437 4.064 20 5 HIBDMN Cc1cc(OCC(=O)Nc2cc(Br)cc(Cl)c2O)ccc1[N+](=O)[O-] ZINC000435798795 861069739 /nfs/dbraw/zinc/06/97/39/861069739.db2.gz NVSVXULEVFYZBP-UHFFFAOYSA-N 0 1 415.627 4.042 20 5 HIBDMN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](N[C@@H]1C[C@@H]2OCCC[C@@H]12)c1ccccc1 ZINC000438837119 864330928 /nfs/dbraw/zinc/33/09/28/864330928.db2.gz IDTJLIZNSYSGOZ-JOCLIGHLSA-N 0 1 415.877 4.085 20 5 HIBDMN COc1cccc(NC(=O)[C@@H](NCCc2ccccc2[N+](=O)[O-])c2ccccc2)c1 ZINC000467970579 881827642 /nfs/dbraw/zinc/82/76/42/881827642.db2.gz QMEWKZRTRIFRAH-QFIPXVFZSA-N 0 1 405.454 4.116 20 5 HIBDMN COc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)cc1[N+](=O)[O-] ZINC000440749001 865887743 /nfs/dbraw/zinc/88/77/43/865887743.db2.gz PVWLANNYLVMLTP-OAHLLOKOSA-N 0 1 400.822 4.110 20 5 HIBDMN O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000441268806 866344397 /nfs/dbraw/zinc/34/43/97/866344397.db2.gz XZHSKNSSCSOJNH-GOSISDBHSA-N 0 1 413.865 4.214 20 5 HIBDMN O=C(NCc1cnc[nH]1)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000443368414 867931926 /nfs/dbraw/zinc/93/19/26/867931926.db2.gz FSFKMRSSNDCFQL-UHFFFAOYSA-N 0 1 422.388 4.418 20 5 HIBDMN O=C(NC[C@@H]1CCCN1Cc1ccccc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444032479 868566140 /nfs/dbraw/zinc/56/61/40/868566140.db2.gz PUNWKRQVJURYOH-FQEVSTJZSA-N 0 1 411.505 4.076 20 5 HIBDMN C[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000444727877 868979589 /nfs/dbraw/zinc/97/95/89/868979589.db2.gz DLWCCBDRDBMBCZ-JTQLQIEISA-N 0 1 412.671 4.300 20 5 HIBDMN O=C(Nc1nc(-c2cc3ccccc3o2)n[nH]1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445266115 869314765 /nfs/dbraw/zinc/31/47/65/869314765.db2.gz WIHOCPVBMZNCLR-UHFFFAOYSA-N 0 1 421.416 4.465 20 5 HIBDMN C[C@H](N[C@H](c1cccnc1)C1CC1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000445814558 869836395 /nfs/dbraw/zinc/83/63/95/869836395.db2.gz ZHCGJCAFXHZIQE-DJJJIMSYSA-N 0 1 423.498 4.181 20 5 HIBDMN C[C@H](N[C@@H](c1cccnc1)C1CC1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000445814559 869836682 /nfs/dbraw/zinc/83/66/82/869836682.db2.gz ZHCGJCAFXHZIQE-ORAYPTAESA-N 0 1 423.498 4.181 20 5 HIBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000446484010 870398239 /nfs/dbraw/zinc/39/82/39/870398239.db2.gz FYKNSKKPLXKMBV-INIZCTEOSA-N 0 1 422.407 4.318 20 5 HIBDMN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC[C@H]([C@H](O)C(F)(F)F)C2)s1 ZINC000446977769 870875317 /nfs/dbraw/zinc/87/53/17/870875317.db2.gz RIRYBXGMWBZFHV-SJCJKPOMSA-N 0 1 400.422 4.459 20 5 HIBDMN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc2c1OCC[C@@H]2N(C)C ZINC000447726387 871674304 /nfs/dbraw/zinc/67/43/04/871674304.db2.gz GOAQLHCZSDPEDM-WBMJQRKESA-N 0 1 419.865 4.039 20 5 HIBDMN CCCC[C@@H](C)N(C)C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000461422061 874449977 /nfs/dbraw/zinc/44/99/77/874449977.db2.gz IOUZQMVCOCKDQJ-OAHLLOKOSA-N 0 1 419.503 4.046 20 5 HIBDMN Cc1cccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1Br ZINC000468799217 882865520 /nfs/dbraw/zinc/86/55/20/882865520.db2.gz CXYVHTYGVHEZSR-UHFFFAOYSA-N 0 1 405.657 4.120 20 5 HIBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000462131622 875231877 /nfs/dbraw/zinc/23/18/77/875231877.db2.gz RWXCABRUYJVFMO-UFBFGSQYSA-N 0 1 423.224 4.014 20 5 HIBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H](c1ccccc1)C1CC1 ZINC000462447307 875553811 /nfs/dbraw/zinc/55/38/11/875553811.db2.gz VYLMVXRIUVPJQT-OAHLLOKOSA-N 0 1 401.271 4.331 20 5 HIBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000503411833 912393510 /nfs/dbraw/zinc/39/35/10/912393510.db2.gz QWQYTFNJWAYPDQ-DOTOQJQBSA-N 0 1 422.489 4.118 20 5 HIBDMN O=C(N[C@@H]1CCN(C2CC2)C1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000466627631 880400606 /nfs/dbraw/zinc/40/06/06/880400606.db2.gz MMDRDFNVBUCMFE-CQSZACIVSA-N 0 1 417.918 4.366 20 5 HIBDMN CN(C[C@H]1CCCOC1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000467140689 880883473 /nfs/dbraw/zinc/88/34/73/880883473.db2.gz ZBEYYJYRWZCJLN-QRWLVFNGSA-N 0 1 417.893 4.286 20 5 HIBDMN COc1cc(CN(C)CC[C@@H]2CCCO2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000467390016 881172297 /nfs/dbraw/zinc/17/22/97/881172297.db2.gz UBYVVPBYTQNDAA-IBGZPJMESA-N 0 1 400.475 4.183 20 5 HIBDMN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1cc(Cl)ccc1N1CCOCC1)CCC2 ZINC000467409405 881194563 /nfs/dbraw/zinc/19/45/63/881194563.db2.gz WYAFEEHIOSYOJA-FQEVSTJZSA-N 0 1 401.894 4.252 20 5 HIBDMN Cc1c([C@@H](C)N[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cccc1[N+](=O)[O-] ZINC000469100754 883191168 /nfs/dbraw/zinc/19/11/68/883191168.db2.gz UEBNFZVUCLRIJF-AUUYWEPGSA-N 0 1 403.429 4.023 20 5 HIBDMN CN1CC[C@H](CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000470127520 884390838 /nfs/dbraw/zinc/39/08/38/884390838.db2.gz COPCRSKSARJWRI-KZULUSFZSA-N 0 1 424.835 4.341 20 5 HIBDMN CC(C)c1[nH]nc(C(=O)N(C)C[C@H](C)Oc2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-] ZINC000470733298 885187434 /nfs/dbraw/zinc/18/74/34/885187434.db2.gz QXJMXQWIHDDHFA-JTQLQIEISA-N 0 1 415.277 4.288 20 5 HIBDMN Cc1ccc([C@@H](NCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccccn2)cc1 ZINC000471079364 885606044 /nfs/dbraw/zinc/60/60/44/885606044.db2.gz ASZGSJQXVCWNKA-HSZRJFAPSA-N 0 1 404.470 4.314 20 5 HIBDMN COc1ccc(-c2n[nH]c(SCc3ccc([N+](=O)[O-])cc3)n2)cc1Br ZINC000473513370 888243570 /nfs/dbraw/zinc/24/35/70/888243570.db2.gz MSFJLRMSSZCKOU-UHFFFAOYSA-N 0 1 421.276 4.443 20 5 HIBDMN COC(=O)COc1ccc(CNC(c2cccs2)c2cccs2)cc1[N+](=O)[O-] ZINC000474370992 889249106 /nfs/dbraw/zinc/24/91/06/889249106.db2.gz KXIJVZXZKDMIOV-UHFFFAOYSA-N 0 1 418.496 4.149 20 5 HIBDMN Cc1ccc2nc(CNC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)[nH]c2c1 ZINC000476914582 891865120 /nfs/dbraw/zinc/86/51/20/891865120.db2.gz OSDZGJZNMLYIAK-UHFFFAOYSA-N 0 1 418.403 4.074 20 5 HIBDMN CCOc1ccc([C@@H](C)N[C@@H](C)c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] ZINC000504893217 913623033 /nfs/dbraw/zinc/62/30/33/913623033.db2.gz CYXYNKQKESAAKE-KGLIPLIRSA-N 0 1 404.463 4.431 20 5 HIBDMN Cc1c(CNC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)cccc1[N+](=O)[O-] ZINC000479778384 895080631 /nfs/dbraw/zinc/08/06/31/895080631.db2.gz XAORSGWRZPLLCX-SFHVURJKSA-N 0 1 424.423 4.024 20 5 HIBDMN CC(C)CCSc1ccc(C(=O)Nc2cc(CN(C)C)ccn2)cc1[N+](=O)[O-] ZINC000482357904 897873197 /nfs/dbraw/zinc/87/31/97/897873197.db2.gz YHBNNTRCEGHLCU-UHFFFAOYSA-N 0 1 402.520 4.442 20 5 HIBDMN CC(=O)N[C@H](C)C1CCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000482501476 898082412 /nfs/dbraw/zinc/08/24/12/898082412.db2.gz SEUUVSRJBVDZGH-QGZVFWFLSA-N 0 1 410.518 4.099 20 5 HIBDMN O=[N+]([O-])c1cc(CNc2ccccc2N2CCN(CCc3ccncc3)CC2)cs1 ZINC000482543667 898131867 /nfs/dbraw/zinc/13/18/67/898131867.db2.gz LQOVETDBACGUKI-UHFFFAOYSA-N 0 1 423.542 4.028 20 5 HIBDMN COc1cc(CN2CCC(Cc3cccnc3)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000505586216 914292903 /nfs/dbraw/zinc/29/29/03/914292903.db2.gz ICTSFEBRNBADJV-UHFFFAOYSA-N 0 1 421.444 4.097 20 5 HIBDMN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1 ZINC000483440858 899075155 /nfs/dbraw/zinc/07/51/55/899075155.db2.gz QRKDERXDGXGKPF-UHFFFAOYSA-N 0 1 420.400 4.219 20 5 HIBDMN O=C(CN[C@H]1CCCc2c(O)cccc21)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000484330836 899884055 /nfs/dbraw/zinc/88/40/55/899884055.db2.gz UXRJDVDVRJUYAS-KRWDZBQOSA-N 0 1 424.482 4.030 20 5 HIBDMN O=[N+]([O-])c1ccc(NC2CCN(Cc3ccccn3)CC2)nc1-c1ccc(F)cc1 ZINC000485399422 900697498 /nfs/dbraw/zinc/69/74/98/900697498.db2.gz PFVJQIPSXRMGIZ-UHFFFAOYSA-N 0 1 407.449 4.267 20 5 HIBDMN O=C(Nc1ccn(-c2ccncc2)n1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000485546577 900822305 /nfs/dbraw/zinc/82/23/05/900822305.db2.gz NQRDISWXXLVEON-UHFFFAOYSA-N 0 1 415.409 4.007 20 5 HIBDMN Cc1ccc2nc(CNC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])[nH]c2c1 ZINC000485727549 900978988 /nfs/dbraw/zinc/97/89/88/900978988.db2.gz WQEVLGUJHMXUDD-UHFFFAOYSA-N 0 1 416.437 4.289 20 5 HIBDMN CC[C@H](NCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1cc(F)cc(Br)c1 ZINC000485828425 901074462 /nfs/dbraw/zinc/07/44/62/901074462.db2.gz JZKYQLAXIBEVOB-INIZCTEOSA-N 0 1 424.270 4.484 20 5 HIBDMN Cc1[nH]c(SCC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)nc1Cc1ccccc1 ZINC000488116193 902616933 /nfs/dbraw/zinc/61/69/33/902616933.db2.gz WZGVLSFFVMXGIN-OAHLLOKOSA-N 0 1 424.526 4.495 20 5 HIBDMN Cc1cc(C[C@@H](C)NC(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)n[nH]1 ZINC000488952998 903094924 /nfs/dbraw/zinc/09/49/24/903094924.db2.gz XUICGUZWBKMSGU-CQSZACIVSA-N 0 1 410.499 4.447 20 5 HIBDMN Cc1ccc([C@H](CNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)N2CCCC2)o1 ZINC000489143083 903227728 /nfs/dbraw/zinc/22/77/28/903227728.db2.gz UAWRNMBGTUDKJI-APWZRJJASA-N 0 1 400.479 4.002 20 5 HIBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000489968636 903703010 /nfs/dbraw/zinc/70/30/10/903703010.db2.gz XOFFSHBBVSJORP-OAHLLOKOSA-N 0 1 400.454 4.389 20 5 HIBDMN CCn1c2ccccc2nc1[C@H]1CCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000490151291 903795035 /nfs/dbraw/zinc/79/50/35/903795035.db2.gz HJLINVVHVJNCAD-OAQYLSRUSA-N 0 1 421.501 4.439 20 5 HIBDMN O=[N+]([O-])c1cccc([C@H](NCCCS(=O)(=O)Cc2ccccc2)c2ccccc2)c1 ZINC000490164523 903805501 /nfs/dbraw/zinc/80/55/01/903805501.db2.gz OGQKSJXEFJMMKK-HSZRJFAPSA-N 0 1 424.522 4.279 20 5 HIBDMN CCS[C@H]1CC[C@H](N(C)Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000490342794 903935635 /nfs/dbraw/zinc/93/56/35/903935635.db2.gz VOPJFRRTFNDWFS-KBPBESRZSA-N 0 1 404.479 4.353 20 5 HIBDMN COc1ccc2cc([C@H](C)C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)n[nH]3)ccc2c1 ZINC000490396792 903981817 /nfs/dbraw/zinc/98/18/17/903981817.db2.gz HWGRPDHAVYNZAQ-ZDUSSCGKSA-N 0 1 417.425 4.284 20 5 HIBDMN O=[N+]([O-])c1ccccc1CN1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000506148723 914825104 /nfs/dbraw/zinc/82/51/04/914825104.db2.gz TZSOQLLMUKEURF-CQSZACIVSA-N 0 1 405.380 4.036 20 5 HIBDMN CCOc1cc(CN[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)ccc1[N+](=O)[O-] ZINC000491767877 904694945 /nfs/dbraw/zinc/69/49/45/904694945.db2.gz WRNSTVLCPHCCLJ-NSHDSACASA-N 0 1 400.401 4.220 20 5 HIBDMN COc1ccc([C@H](NCCn2cc([N+](=O)[O-])cn2)c2ccc(C(F)(F)F)cc2)cc1 ZINC000492515568 904862694 /nfs/dbraw/zinc/86/26/94/904862694.db2.gz OFJVYKIIHWZFJN-LJQANCHMSA-N 0 1 420.391 4.198 20 5 HIBDMN CCOc1cc(CN2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000492721848 904893645 /nfs/dbraw/zinc/89/36/45/904893645.db2.gz LOAXLVMQFVMNBO-UHFFFAOYSA-N 0 1 407.474 4.158 20 5 HIBDMN Cn1ccnc1-c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)[nH]n1 ZINC000493505401 905144421 /nfs/dbraw/zinc/14/44/21/905144421.db2.gz VMHGOOFOLGMWSZ-UHFFFAOYSA-N 0 1 420.454 4.122 20 5 HIBDMN C[C@H](CCCC(F)(F)F)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000494368279 905666149 /nfs/dbraw/zinc/66/61/49/905666149.db2.gz KVSIVVHELLGAAU-SSDOTTSWSA-N 0 1 409.213 4.301 20 5 HIBDMN Cc1c(NC(=O)[C@H](C)N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000494493579 905778994 /nfs/dbraw/zinc/77/89/94/905778994.db2.gz JEUMAANEDADRDW-BOFPYLFWSA-N 0 1 403.866 4.003 20 5 HIBDMN Cc1c(NC(=O)[C@H](C)N[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000494492770 905779273 /nfs/dbraw/zinc/77/92/73/905779273.db2.gz MFURASJJRLCNIN-KHDYIWLOSA-N 0 1 421.856 4.143 20 5 HIBDMN CCC(CC)N(CC)C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000494851880 906036025 /nfs/dbraw/zinc/03/60/25/906036025.db2.gz UZECOYUVXPAMPM-UHFFFAOYSA-N 0 1 419.503 4.046 20 5 HIBDMN CC(C)c1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)n[nH]1 ZINC000496786109 906757195 /nfs/dbraw/zinc/75/71/95/906757195.db2.gz ROVSKTGRTQNOMN-CYBMUJFWSA-N 0 1 411.487 4.479 20 5 HIBDMN CC(C)(C)c1ccc(C(=O)Nc2ccccc2CN2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000497600399 907080478 /nfs/dbraw/zinc/08/04/78/907080478.db2.gz ZOTHAVFPTQIZPF-UHFFFAOYSA-N 0 1 411.502 4.101 20 5 HIBDMN CCCCc1nc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3SCCO)cc2[nH]1 ZINC000497732703 907230135 /nfs/dbraw/zinc/23/01/35/907230135.db2.gz OQWZZUNFXHMARA-UHFFFAOYSA-N 0 1 414.487 4.150 20 5 HIBDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000497882897 907355455 /nfs/dbraw/zinc/35/54/55/907355455.db2.gz RVYGDARZZLGAOC-GHMZBOCLSA-N 0 1 407.421 4.299 20 5 HIBDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000497882901 907357019 /nfs/dbraw/zinc/35/70/19/907357019.db2.gz RVYGDARZZLGAOC-QWRGUYRKSA-N 0 1 407.421 4.299 20 5 HIBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC1(c2ccc(Br)cc2)CCC1 ZINC000506925869 915726495 /nfs/dbraw/zinc/72/64/95/915726495.db2.gz ACMQLZHFMQXMDL-UHFFFAOYSA-N 0 1 418.291 4.273 20 5 HIBDMN Cc1c(NC(=O)[C@H](C)N(C)CCCc2cc(-c3ccccc3)no2)cccc1[N+](=O)[O-] ZINC000507164781 915903556 /nfs/dbraw/zinc/90/35/56/915903556.db2.gz LBNWDIVZGZCTKZ-KRWDZBQOSA-N 0 1 422.485 4.450 20 5 HIBDMN COCCn1cc2c(n1)[C@@H](NCc1ccc(-c3ccccc3[N+](=O)[O-])s1)CCC2 ZINC000507920057 916800218 /nfs/dbraw/zinc/80/02/18/916800218.db2.gz QJRYBWWIEYVXIE-SFHVURJKSA-N 0 1 412.515 4.333 20 5 HIBDMN C[C@H](NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C(=O)NCc1ccccc1 ZINC000507949619 916812301 /nfs/dbraw/zinc/81/23/01/916812301.db2.gz MFCYARMPBZDOJH-INIZCTEOSA-N 0 1 423.444 4.321 20 5 HIBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(CN2CCSCC2)cc1 ZINC000508588039 917359191 /nfs/dbraw/zinc/35/91/91/917359191.db2.gz MQBILKATHQEJFQ-UHFFFAOYSA-N 0 1 413.543 4.194 20 5 HIBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CNC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000508619609 917385716 /nfs/dbraw/zinc/38/57/16/917385716.db2.gz HBLNKSNZWNOKQO-UHFFFAOYSA-N 0 1 412.273 4.374 20 5 HIBDMN CCCN(C(=O)c1cc(OC)ccc1[N+](=O)[O-])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000509186519 917895234 /nfs/dbraw/zinc/89/52/34/917895234.db2.gz RDSSFNBXKORUHY-IBGZPJMESA-N 0 1 411.502 4.120 20 5 HIBDMN Cc1noc([C@@H]2CCCN(Cc3ccc(N(C)c4ccccc4)c([N+](=O)[O-])c3)C2)n1 ZINC000509346895 918011401 /nfs/dbraw/zinc/01/14/01/918011401.db2.gz YOYCBOLMTADRTR-GOSISDBHSA-N 0 1 407.474 4.434 20 5 HIBDMN CCN(CC)[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000509676486 918307671 /nfs/dbraw/zinc/30/76/71/918307671.db2.gz VCQLGJDTTHAAIR-SFHVURJKSA-N 0 1 409.408 4.313 20 5 HIBDMN Cc1ccc([C@@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)N2CCCC2)o1 ZINC000513989968 922311604 /nfs/dbraw/zinc/31/16/04/922311604.db2.gz QPCJMFMEAAVDCB-OAHLLOKOSA-N 0 1 424.404 4.056 20 5 HIBDMN Cc1c([C@H](C)NCc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)cccc1[N+](=O)[O-] ZINC000514695411 922761894 /nfs/dbraw/zinc/76/18/94/922761894.db2.gz BAOHQTRCBVOKIX-INIZCTEOSA-N 0 1 422.485 4.123 20 5 HIBDMN Cc1csc(Sc2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)n1 ZINC000515836873 923383353 /nfs/dbraw/zinc/38/33/53/923383353.db2.gz SFKCUZFXTLESQR-UHFFFAOYSA-N 0 1 407.498 4.312 20 5 HIBDMN Cc1c(Cl)cc(S(=O)(=O)Nc2ccccc2NCC(F)(F)F)cc1[N+](=O)[O-] ZINC000516332627 923670657 /nfs/dbraw/zinc/67/06/57/923670657.db2.gz RMCHLFPBABWDGL-UHFFFAOYSA-N 0 1 423.800 4.332 20 5 HIBDMN Cc1c(Cl)cc(S(=O)(=O)Nc2cccc(OCC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000520017939 928241679 /nfs/dbraw/zinc/24/16/79/928241679.db2.gz JTNQEYWRBHJTNT-UHFFFAOYSA-N 0 1 424.784 4.299 20 5 HIBDMN COc1ccc(CN[C@@H](C)c2cnn(C)c2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000520951691 928886820 /nfs/dbraw/zinc/88/68/20/928886820.db2.gz IGOSFZRSUBJLOC-HNNXBMFYSA-N 0 1 410.474 4.075 20 5 HIBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000521767077 929430099 /nfs/dbraw/zinc/43/00/99/929430099.db2.gz DAVZZCSRZLNNRY-UHFFFAOYSA-N 0 1 422.384 4.080 20 5 HIBDMN O=C(N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000525112194 930044178 /nfs/dbraw/zinc/04/41/78/930044178.db2.gz DDSJJMLWPVMOEL-QFIPXVFZSA-N 0 1 411.421 4.472 20 5 HIBDMN O=[N+]([O-])c1ccc(-c2nnc(CSc3nc(-c4cc(F)cc(F)c4)n[nH]3)o2)cc1 ZINC000525114257 930044824 /nfs/dbraw/zinc/04/48/24/930044824.db2.gz QCOUAUPWNLUMGV-UHFFFAOYSA-N 0 1 416.369 4.000 20 5 HIBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCc1cc2ccccc2o1 ZINC000525186404 930080176 /nfs/dbraw/zinc/08/01/76/930080176.db2.gz CTTJSDTWTIDILI-UHFFFAOYSA-N 0 1 401.227 4.126 20 5 HIBDMN O=[N+]([O-])c1ccc(-c2noc(CSc3nc(-c4cc(F)cc(F)c4)n[nH]3)n2)cc1 ZINC000525626283 930371210 /nfs/dbraw/zinc/37/12/10/930371210.db2.gz RBZHUPSGNRRXPH-UHFFFAOYSA-N 0 1 416.369 4.000 20 5 HIBDMN O=[N+]([O-])c1cccc(-c2noc(CSc3nc(-c4cc(F)cc(F)c4)n[nH]3)n2)c1 ZINC000525627832 930371897 /nfs/dbraw/zinc/37/18/97/930371897.db2.gz GBROXBPEXHQHMQ-UHFFFAOYSA-N 0 1 416.369 4.000 20 5 HIBDMN CCC[C@@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000525687839 930404062 /nfs/dbraw/zinc/40/40/62/930404062.db2.gz SKSOZLFAXNNZRZ-CYBMUJFWSA-N 0 1 404.275 4.116 20 5 HIBDMN Cc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000530728434 930809724 /nfs/dbraw/zinc/80/97/24/930809724.db2.gz XGTWQRSJGAAALT-STQMWFEESA-N 0 1 406.280 4.344 20 5 HIBDMN Cc1ccc([C@H](C)N[C@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)cc1[N+](=O)[O-] ZINC000530966081 930870287 /nfs/dbraw/zinc/87/02/87/930870287.db2.gz FWIFWWPJEVFAPG-UONOGXRCSA-N 0 1 407.873 4.393 20 5 HIBDMN O=[N+]([O-])c1ccc(-c2ccc(CNCCS(=O)(=O)c3ccc(F)cc3)s2)cc1 ZINC000532209718 931352410 /nfs/dbraw/zinc/35/24/10/931352410.db2.gz QACDOFLAFWMMCD-UHFFFAOYSA-N 0 1 420.487 4.026 20 5 HIBDMN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000532460179 931444506 /nfs/dbraw/zinc/44/45/06/931444506.db2.gz UBACBVMYXIRMPD-IAGOWNOFSA-N 0 1 419.547 4.346 20 5 HIBDMN C[C@H](NCCS(=O)(=O)c1ccccc1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000532467215 931448537 /nfs/dbraw/zinc/44/85/37/931448537.db2.gz VVIZMLYUCYFQRT-HNNXBMFYSA-N 0 1 416.524 4.448 20 5 HIBDMN C[C@@H](NCCS(=O)(=O)c1ccccc1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000532467216 931448719 /nfs/dbraw/zinc/44/87/19/931448719.db2.gz VVIZMLYUCYFQRT-OAHLLOKOSA-N 0 1 416.524 4.448 20 5 HIBDMN CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000534870976 932816498 /nfs/dbraw/zinc/81/64/98/932816498.db2.gz SKQXMRYJSXUUON-NRFANRHFSA-N 0 1 415.852 4.270 20 5 HIBDMN COc1cccc(NC(=O)[C@H](NCCc2cccc([N+](=O)[O-])c2)c2ccccc2)c1 ZINC000535411083 933122488 /nfs/dbraw/zinc/12/24/88/933122488.db2.gz JKCQURBEIUJOIL-JOCHJYFZSA-N 0 1 405.454 4.116 20 5 HIBDMN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C ZINC000562595990 945105811 /nfs/dbraw/zinc/10/58/11/945105811.db2.gz UUDKJFDDEOSOIG-UHFFFAOYSA-N 0 1 400.460 4.949 20 5 HIBDMN CCOc1ccc([C@@H](C)N[C@H](CC(C)C)C(=O)Nc2nccs2)cc1[N+](=O)[O-] ZINC000537963539 938436665 /nfs/dbraw/zinc/43/66/65/938436665.db2.gz NVVQCSJVGAJPCO-UKRRQHHQSA-N 0 1 406.508 4.154 20 5 HIBDMN CCOc1ccc(NC(=O)CN[C@H](C)c2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000538144030 938519695 /nfs/dbraw/zinc/51/96/95/938519695.db2.gz OSFFQPFWNOHHSG-GFCCVEGCSA-N 0 1 422.279 4.045 20 5 HIBDMN CCOc1ccc(NC(=O)CN[C@@H](C)c2ccc(-c3cccnc3)cc2)c([N+](=O)[O-])c1 ZINC000538232484 938567338 /nfs/dbraw/zinc/56/73/38/938567338.db2.gz BWYKOIMZJSSQRD-INIZCTEOSA-N 0 1 420.469 4.345 20 5 HIBDMN CCc1nn(C)c(OC)c1CN[C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000539037248 938776549 /nfs/dbraw/zinc/77/65/49/938776549.db2.gz IORMRMOJTWJQBJ-CYBMUJFWSA-N 0 1 400.504 4.479 20 5 HIBDMN CCC[C@@H](NCc1ccc(S(=O)(=O)N(CC)CC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000539074922 938795455 /nfs/dbraw/zinc/79/54/55/938795455.db2.gz KFMVHCZJKLJVOL-OAQYLSRUSA-N 0 1 419.547 4.256 20 5 HIBDMN C[C@@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(-c2ccncc2)cc1 ZINC000539338691 938844659 /nfs/dbraw/zinc/84/46/59/938844659.db2.gz HVBRBJWMEZRUTC-OPAMFIHVSA-N 0 1 402.454 4.113 20 5 HIBDMN CC(=O)c1cc(F)c(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c(F)c1 ZINC000539642062 938892613 /nfs/dbraw/zinc/89/26/13/938892613.db2.gz KTEGMQRNMSCNAI-UHFFFAOYSA-N 0 1 418.274 4.269 20 5 HIBDMN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000539743568 938918379 /nfs/dbraw/zinc/91/83/79/938918379.db2.gz AYTBTKXNONEPJT-CQSZACIVSA-N 0 1 415.519 4.111 20 5 HIBDMN COc1ccc(-c2n[nH]c(Sc3ccc([N+](=O)[O-])c(OC(F)F)c3)n2)c(OC)c1 ZINC000539970006 938982501 /nfs/dbraw/zinc/98/25/01/938982501.db2.gz KQROZHWDPHGWES-UHFFFAOYSA-N 0 1 424.385 4.150 20 5 HIBDMN CCOc1ccc([C@@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OCC ZINC000540367722 939212608 /nfs/dbraw/zinc/21/26/08/939212608.db2.gz GXSRKMHADPNEAS-CYBMUJFWSA-N 0 1 421.881 4.335 20 5 HIBDMN COc1ccc2cc(CN(C)C(=O)CN[C@@H](C)c3cccc([N+](=O)[O-])c3)ccc2c1 ZINC000540376365 939217488 /nfs/dbraw/zinc/21/74/88/939217488.db2.gz PTBWWFRSTZUKPD-INIZCTEOSA-N 0 1 407.470 4.066 20 5 HIBDMN O=C(NCc1ccccc1)[C@H](Cc1ccccc1)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000540613796 939320149 /nfs/dbraw/zinc/32/01/49/939320149.db2.gz SWRLJINOLWNJIG-XXIOWLSESA-N 0 1 415.493 4.125 20 5 HIBDMN CC(C)c1nnc(-c2ccccc2NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)[nH]1 ZINC000541013317 939431458 /nfs/dbraw/zinc/43/14/58/939431458.db2.gz MFARDZZTNFXOLN-UHFFFAOYSA-N 0 1 417.372 4.357 20 5 HIBDMN Cc1ccc(Sc2ccc(CNC[C@@H]3CCCCS3(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000541383650 939502316 /nfs/dbraw/zinc/50/23/16/939502316.db2.gz LXFLPRWSGYPCTK-SFHVURJKSA-N 0 1 420.556 4.111 20 5 HIBDMN CCc1ccc([C@@H](NC[C@@H]2CCN(CC(F)(F)F)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541549147 939551344 /nfs/dbraw/zinc/55/13/44/939551344.db2.gz MOMHFNGAUCQICY-LIRRHRJNSA-N 0 1 411.424 4.313 20 5 HIBDMN CC(C)([C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(F)c(F)c1)N1CCCC1 ZINC000541552363 939553258 /nfs/dbraw/zinc/55/32/58/939553258.db2.gz HFFVCPYWEQYAME-LJQANCHMSA-N 0 1 421.419 4.358 20 5 HIBDMN Cc1c(CN2CCSCC2)cccc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000541606318 939567444 /nfs/dbraw/zinc/56/74/44/939567444.db2.gz ZLMKPHLNABPYHN-HNNXBMFYSA-N 0 1 417.506 4.333 20 5 HIBDMN Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000541654443 939589446 /nfs/dbraw/zinc/58/94/46/939589446.db2.gz TXPPDPGUWNCAHN-NSHDSACASA-N 0 1 414.462 4.116 20 5 HIBDMN C[C@H](C(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000541708634 939611087 /nfs/dbraw/zinc/61/10/87/939611087.db2.gz DCKASRVSZYKBKS-GOEBONIOSA-N 0 1 423.448 4.029 20 5 HIBDMN C[C@H](C(=O)Nc1cccc(CN2CCSCC2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000542532082 939838589 /nfs/dbraw/zinc/83/85/89/939838589.db2.gz LSTGGDRZJRATBH-AWEZNQCLSA-N 0 1 403.479 4.025 20 5 HIBDMN CC(C)[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc2ccccc2o1 ZINC000542678776 939853595 /nfs/dbraw/zinc/85/35/95/939853595.db2.gz HWUALRJGJMHDPG-FQEVSTJZSA-N 0 1 402.472 4.102 20 5 HIBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)c1 ZINC000542725330 939857042 /nfs/dbraw/zinc/85/70/42/939857042.db2.gz TYZDPPAGSDBEAB-UHFFFAOYSA-N 0 1 424.438 4.216 20 5 HIBDMN O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CNC[C@H]2CCCCS2(=O)=O)cc1 ZINC000543238664 940004454 /nfs/dbraw/zinc/00/44/54/940004454.db2.gz LRYAPCHYFPKKJY-QGZVFWFLSA-N 0 1 424.906 4.097 20 5 HIBDMN Cc1nc(-c2ccccc2)sc1[C@@H](C)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000543519476 940094190 /nfs/dbraw/zinc/09/41/90/940094190.db2.gz YKILTAMEQDMDMD-CQSZACIVSA-N 0 1 410.499 4.340 20 5 HIBDMN CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000543556584 940107763 /nfs/dbraw/zinc/10/77/63/940107763.db2.gz FXLNRXREVDVEGV-VQIMIIECSA-N 0 1 421.856 4.178 20 5 HIBDMN O=C(N[C@@H]1CCCc2cn[nH]c21)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000543583399 940119490 /nfs/dbraw/zinc/11/94/90/940119490.db2.gz DOPAGMUADMBACZ-QGZVFWFLSA-N 0 1 400.504 4.408 20 5 HIBDMN Cc1cc(C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SCC(C)C)CC2)n[nH]1 ZINC000545450844 940570578 /nfs/dbraw/zinc/57/05/78/940570578.db2.gz VQDWGNIHNMPTOL-UHFFFAOYSA-N 0 1 402.520 4.394 20 5 HIBDMN Cn1cc(C(C)(C)NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000545996818 940672163 /nfs/dbraw/zinc/67/21/63/940672163.db2.gz WYZBSZLNEFOQHH-UHFFFAOYSA-N 0 1 416.485 4.206 20 5 HIBDMN CC[C@@H](CC(F)(F)F)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000546180958 940722527 /nfs/dbraw/zinc/72/25/27/940722527.db2.gz MRZCSMQVMSPVTK-IUCAKERBSA-N 0 1 401.307 4.261 20 5 HIBDMN CCCc1[nH]nc(C(=O)N2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)c1[N+](=O)[O-] ZINC000548917066 941129128 /nfs/dbraw/zinc/12/91/28/941129128.db2.gz GHOPSWUPVKPBJU-KRWDZBQOSA-N 0 1 414.359 4.000 20 5 HIBDMN CCCN(Cc1nnc(-c2ccccc2Cl)o1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000549920034 941238592 /nfs/dbraw/zinc/23/85/92/941238592.db2.gz ZTDGNLLVWVQXDP-UHFFFAOYSA-N 0 1 402.838 4.416 20 5 HIBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3cnc(-c4ccc(Cl)cc4)s3)C2)nc1 ZINC000551557703 941501069 /nfs/dbraw/zinc/50/10/69/941501069.db2.gz GYJHEKDMWFBPJL-OAHLLOKOSA-N 0 1 415.906 4.453 20 5 HIBDMN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2cc(F)c(F)cc2Br)n1 ZINC000552096028 941584270 /nfs/dbraw/zinc/58/42/70/941584270.db2.gz NUYOSOWJFFMAJQ-GJZGRUSLSA-N 0 1 415.238 4.106 20 5 HIBDMN COc1ccccc1S(=O)(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000554736271 942215457 /nfs/dbraw/zinc/21/54/57/942215457.db2.gz CBLYBGAKFJJHAH-UHFFFAOYSA-N 0 1 400.412 4.197 20 5 HIBDMN O=C(NC[C@H](c1cccs1)N1CCCC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000555088282 942382577 /nfs/dbraw/zinc/38/25/77/942382577.db2.gz YYTASTQPLKDFKW-OAHLLOKOSA-N 0 1 413.421 4.242 20 5 HIBDMN COc1ccc(-c2ccc(CNCc3ccccc3Cn3ccnc3)o2)c([N+](=O)[O-])c1 ZINC000555198140 942427379 /nfs/dbraw/zinc/42/73/79/942427379.db2.gz LSBHGWAZHQUUPA-UHFFFAOYSA-N 0 1 418.453 4.398 20 5 HIBDMN C[C@@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cc(F)c(Cl)cc1Cl ZINC000560392700 944229648 /nfs/dbraw/zinc/22/96/48/944229648.db2.gz MBYRUXZTFRBTTH-PWSUYJOCSA-N 0 1 403.237 4.131 20 5 HIBDMN Cc1ccc([C@H](C)NCc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)cc1[N+](=O)[O-] ZINC000568569094 946604581 /nfs/dbraw/zinc/60/45/81/946604581.db2.gz CNZQPMACGYYOLP-INIZCTEOSA-N 0 1 422.485 4.123 20 5 HIBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000573356058 948164077 /nfs/dbraw/zinc/16/40/77/948164077.db2.gz JZKLHOZRVDZKGV-UHFFFAOYSA-N 0 1 407.405 4.111 20 5 HIBDMN Cc1ccc2[nH]c3c(c2c1)C[C@H](N[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)CC3 ZINC000574923712 948552877 /nfs/dbraw/zinc/55/28/77/948552877.db2.gz RMCHAKZCZULQOI-HXOBKFHXSA-N 0 1 415.497 4.355 20 5 HIBDMN Cc1ccc(CN2CCC(O)(Cc3ccc(OC(F)(F)F)cc3)CC2)cc1[N+](=O)[O-] ZINC000575219119 948635284 /nfs/dbraw/zinc/63/52/84/948635284.db2.gz VKYDVSYORSHVCF-UHFFFAOYSA-N 0 1 424.419 4.371 20 5 HIBDMN Cc1nc(CN2CCCC23CCN(c2nc(Cl)c(C)cc2[N+](=O)[O-])CC3)cs1 ZINC001164692607 719806687 /nfs/dbraw/zinc/80/66/87/719806687.db2.gz LDAFVOQBUIRLEJ-UHFFFAOYSA-N 0 1 421.954 4.352 20 5 HIBDMN O=[N+]([O-])c1ccc2ccnc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)c2c1 ZINC001164696285 719897162 /nfs/dbraw/zinc/89/71/62/719897162.db2.gz FOOYVMVNAYYUAQ-UHFFFAOYSA-N 0 1 424.526 4.076 20 5 HIBDMN Cc1cc(Cl)c([N+](=O)[O-])c(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)n1 ZINC001164994845 722197040 /nfs/dbraw/zinc/19/70/40/722197040.db2.gz QFCCOLIOZBRWIN-FQEVSTJZSA-N 0 1 404.873 4.336 20 5 HIBDMN Cc1[nH]c(S[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nc1Cc1ccccc1 ZINC000009946700 845607524 /nfs/dbraw/zinc/60/75/24/845607524.db2.gz RICGRAUKMZWXSZ-CYBMUJFWSA-N 0 1 414.462 4.476 20 5 HIBDMN Cc1c(NC(=O)[C@H](C)Sc2nc(-c3ccc(Cl)cc3)n[nH]2)cccc1[N+](=O)[O-] ZINC000023966944 846764017 /nfs/dbraw/zinc/76/40/17/846764017.db2.gz IEXAKERNIBVASV-NSHDSACASA-N 0 1 417.878 4.461 20 5 HIBDMN COc1cc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)cc([N+](=O)[O-])c1O ZINC000024079863 846785727 /nfs/dbraw/zinc/78/57/27/846785727.db2.gz SQVNVNNAHXHMKV-HXUWFJFHSA-N 0 1 409.373 4.219 20 5 HIBDMN O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000028831449 847466207 /nfs/dbraw/zinc/46/62/07/847466207.db2.gz WMIYIYVWAFBCFY-UHFFFAOYSA-N 0 1 424.269 4.418 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)c1ccc(OC(C)C)cc1 ZINC000056170613 850270721 /nfs/dbraw/zinc/27/07/21/850270721.db2.gz YQDSOUJYQKXOTN-CABCVRRESA-N 0 1 401.463 4.068 20 5 HIBDMN Cc1c(CN2CCSCC2)cccc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000116179132 853290248 /nfs/dbraw/zinc/29/02/48/853290248.db2.gz HHHIXIIZPWZNHN-UHFFFAOYSA-N 0 1 405.907 4.358 20 5 HIBDMN COc1cc(CN[C@@H](CO)c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237179963 853976445 /nfs/dbraw/zinc/97/64/45/853976445.db2.gz WUPNLMKNRKGNMH-NRFANRHFSA-N 0 1 408.454 4.006 20 5 HIBDMN CCc1ccc(CNCc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000237180521 853976454 /nfs/dbraw/zinc/97/64/54/853976454.db2.gz VXAXOEMEDMRKSR-UHFFFAOYSA-N 0 1 404.410 4.458 20 5 HIBDMN COc1cc(CN[C@@](C)(CO)c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237201819 853980912 /nfs/dbraw/zinc/98/09/12/853980912.db2.gz NMIKIDUTTJRKIC-DEOSSOPVSA-N 0 1 422.481 4.180 20 5 HIBDMN COc1ccc(CN[C@H](C)c2ccc(OCc3ccncc3)c(OC)c2)cc1[N+](=O)[O-] ZINC000237343517 854009217 /nfs/dbraw/zinc/00/92/17/854009217.db2.gz FMTMHMUTRNKDAA-MRXNPFEDSA-N 0 1 423.469 4.437 20 5 HIBDMN COc1ccc(-c2ccc(CNCc3ccccc3-n3cccn3)o2)c([N+](=O)[O-])c1 ZINC000237418308 854028529 /nfs/dbraw/zinc/02/85/29/854028529.db2.gz CKCYRJLBXRNCCF-UHFFFAOYSA-N 0 1 404.426 4.339 20 5 HIBDMN COc1ccc(-c2ccc(CNCc3ccc(OCC4CC4)nc3)o2)c([N+](=O)[O-])c1 ZINC000237420393 854028873 /nfs/dbraw/zinc/02/88/73/854028873.db2.gz NKLZIIIYMAATAR-UHFFFAOYSA-N 0 1 409.442 4.337 20 5 HIBDMN COc1cc(CNC[C@H](c2c(F)cccc2Cl)N2CCCC2)c([N+](=O)[O-])cc1O ZINC000237425612 854030915 /nfs/dbraw/zinc/03/09/15/854030915.db2.gz CSJGMGYPVFWBKS-QGZVFWFLSA-N 0 1 423.872 4.028 20 5 HIBDMN Cc1nn(C)cc1[C@H](C)NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237609570 854061535 /nfs/dbraw/zinc/06/15/35/854061535.db2.gz QFXHBCPZNNRUAO-INIZCTEOSA-N 0 1 416.485 4.340 20 5 HIBDMN Cc1nn(C)c(C)c1CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000237711904 854080994 /nfs/dbraw/zinc/08/09/94/854080994.db2.gz PLNOFYHYGLZHMT-UHFFFAOYSA-N 0 1 419.279 4.257 20 5 HIBDMN Cn1cc(CNCc2ccc(OC3CCCC3)nc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237777244 854096073 /nfs/dbraw/zinc/09/60/73/854096073.db2.gz BEHUWBSHKSMDPS-UHFFFAOYSA-N 0 1 407.474 4.002 20 5 HIBDMN O=[N+]([O-])c1ccc(-c2ccc(CNCc3ccnc(-n4cccn4)c3)o2)c(Cl)c1 ZINC000237819931 854103462 /nfs/dbraw/zinc/10/34/62/854103462.db2.gz URNJFQUAOIVONJ-UHFFFAOYSA-N 0 1 409.833 4.379 20 5 HIBDMN Cc1cccn2cc(COc3ccc(CNCc4ccc([N+](=O)[O-])cc4)cc3)nc12 ZINC000237855800 854108192 /nfs/dbraw/zinc/10/81/92/854108192.db2.gz AVIHSZGXWUZHLJ-UHFFFAOYSA-N 0 1 402.454 4.420 20 5 HIBDMN CN(CCc1ccc(Br)cc1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000303351215 854887351 /nfs/dbraw/zinc/88/73/51/854887351.db2.gz YKFIXKFALDPQTC-UHFFFAOYSA-N 0 1 417.263 4.082 20 5 HIBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000410222714 855868258 /nfs/dbraw/zinc/86/82/58/855868258.db2.gz ZFSGTBOTROIZTK-UHFFFAOYSA-N 0 1 402.813 4.226 20 5 HIBDMN O=C(NCc1nc2ccc(F)cc2[nH]1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000426704300 856422339 /nfs/dbraw/zinc/42/23/39/856422339.db2.gz QLSQLYHKNCCBFZ-UHFFFAOYSA-N 0 1 420.400 4.119 20 5 HIBDMN COc1cccc([C@H](CC(=O)[O-])[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000426781115 856474702 /nfs/dbraw/zinc/47/47/02/856474702.db2.gz YMKISRCWBMJUPF-SFHVURJKSA-N 0 1 413.455 4.033 20 5 HIBDMN Cc1ccc(NC(=O)[C@H](N[C@H]2Cc3cccc(O)c3C2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000429235345 857566598 /nfs/dbraw/zinc/56/65/98/857566598.db2.gz IQMOSLDZDVPBOD-FDDCHVKYSA-N 0 1 417.465 4.046 20 5 HIBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000430194920 858076825 /nfs/dbraw/zinc/07/68/25/858076825.db2.gz LJNQYNYIYDGTQG-MRXNPFEDSA-N 0 1 412.421 4.172 20 5 HIBDMN C[C@@H]1C[C@]2(CCO1)CN(Cc1ccc(-c3ccccc3[N+](=O)[O-])s1)C[C@H](C)O2 ZINC000430765869 858295965 /nfs/dbraw/zinc/29/59/65/858295965.db2.gz TVCZTNACTANBOB-VWKPWSFCSA-N 0 1 402.516 4.482 20 5 HIBDMN CC1(C)C[C@H](NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433177131 859555629 /nfs/dbraw/zinc/55/56/29/859555629.db2.gz PZTKMRCLBUBDNJ-KNQAVFIVSA-N 0 1 423.513 4.016 20 5 HIBDMN COC[C@H](NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000433210015 859568168 /nfs/dbraw/zinc/56/81/68/859568168.db2.gz ZQMIFUHFDHKIJU-QFBILLFUSA-N 0 1 406.866 4.324 20 5 HIBDMN CC1(C)C[C@H](N[C@H](CO)c2cccc(Br)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433295530 859621599 /nfs/dbraw/zinc/62/15/99/859621599.db2.gz PQUBSXGVFZRDGG-ZWKOTPCHSA-N 0 1 405.292 4.403 20 5 HIBDMN CC1(C)C[C@@H](N[C@H](CO)c2cccc(Br)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433295528 859622489 /nfs/dbraw/zinc/62/24/89/859622489.db2.gz PQUBSXGVFZRDGG-QZTJIDSGSA-N 0 1 405.292 4.403 20 5 HIBDMN CCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@@H](c1ccc(C)cc1)c1cccnc1 ZINC000433761553 859881424 /nfs/dbraw/zinc/88/14/24/859881424.db2.gz CPXZNFSDNKBIHZ-FQEVSTJZSA-N 0 1 407.474 4.396 20 5 HIBDMN COc1ccc(Cl)cc1C[C@H]1CCCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000434251848 860230536 /nfs/dbraw/zinc/23/05/36/860230536.db2.gz XNKPYYPCEKUAIA-CYBMUJFWSA-N 0 1 420.897 4.198 20 5 HIBDMN CC(C)CCSc1ccc(C(=O)N2CCC(c3cnc[nH]3)CC2)cc1[N+](=O)[O-] ZINC000434304848 860267171 /nfs/dbraw/zinc/26/71/71/860267171.db2.gz IYXKEBFGTPHGBC-UHFFFAOYSA-N 0 1 402.520 4.476 20 5 HIBDMN O=[N+]([O-])c1ccc2oc(CN3CCC[C@H](c4nc(-c5cccc(F)c5)no4)C3)nc2c1 ZINC000434856729 860525507 /nfs/dbraw/zinc/52/55/07/860525507.db2.gz UKEBTFWBWQPWGK-AWEZNQCLSA-N 0 1 423.404 4.305 20 5 HIBDMN CC(=O)NC[C@@H]1CCCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000434992872 860589201 /nfs/dbraw/zinc/58/92/01/860589201.db2.gz VOUSTXBWWOPFOT-KRWDZBQOSA-N 0 1 417.893 4.389 20 5 HIBDMN Cc1ccc([C@H](CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)N2CCCC2)o1 ZINC000438024383 863383184 /nfs/dbraw/zinc/38/31/84/863383184.db2.gz RKUGUWDYXXJJRQ-FQEVSTJZSA-N 0 1 412.490 4.007 20 5 HIBDMN COc1cnccc1[C@@H](C)NCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000438480269 863897310 /nfs/dbraw/zinc/89/73/10/863897310.db2.gz SDDUENSICGACRD-MRXNPFEDSA-N 0 1 423.469 4.437 20 5 HIBDMN Cc1nc(-c2cccc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)n[nH]3)c2)cs1 ZINC000439189373 864617609 /nfs/dbraw/zinc/61/76/09/864617609.db2.gz OETJIZDUFNFCSS-UHFFFAOYSA-N 0 1 406.427 4.064 20 5 HIBDMN CCc1nc(NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])n[nH]1 ZINC000467923641 881797149 /nfs/dbraw/zinc/79/71/49/881797149.db2.gz YEXAVNBLEWKFOS-UHFFFAOYSA-N 0 1 403.851 4.332 20 5 HIBDMN CCc1n[nH]c(NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])n1 ZINC000467923641 881797165 /nfs/dbraw/zinc/79/71/65/881797165.db2.gz YEXAVNBLEWKFOS-UHFFFAOYSA-N 0 1 403.851 4.332 20 5 HIBDMN CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000439559145 864884510 /nfs/dbraw/zinc/88/45/10/864884510.db2.gz BPNFUNRQRPMWMZ-CHWSQXEVSA-N 0 1 419.503 4.073 20 5 HIBDMN CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000439559148 864884567 /nfs/dbraw/zinc/88/45/67/864884567.db2.gz BPNFUNRQRPMWMZ-QWHCGFSZSA-N 0 1 419.503 4.073 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000441523586 866600027 /nfs/dbraw/zinc/60/00/27/866600027.db2.gz KPJSGLZLLDGFCV-INIZCTEOSA-N 0 1 400.822 4.110 20 5 HIBDMN O=C(Nc1nc(-c2ccccn2)n[nH]1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000443310365 867898879 /nfs/dbraw/zinc/89/88/79/867898879.db2.gz VBRCOIUWKBJJLB-UHFFFAOYSA-N 0 1 418.438 4.178 20 5 HIBDMN Cc1nc(-c2ccc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)n[nH]3)cc2)cs1 ZINC000443323426 867904564 /nfs/dbraw/zinc/90/45/64/867904564.db2.gz ROGRIPHNHAJQCY-UHFFFAOYSA-N 0 1 406.427 4.064 20 5 HIBDMN O=C(Nc1cccc(-c2cn[nH]n2)c1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000443665753 868272797 /nfs/dbraw/zinc/27/27/97/868272797.db2.gz JIISRYDOBFSVRQ-UHFFFAOYSA-N 0 1 414.425 4.244 20 5 HIBDMN COc1ccc(OCCN[C@H](C)c2nc3ccccc3n2C(F)F)c([N+](=O)[O-])c1 ZINC000444680959 868954621 /nfs/dbraw/zinc/95/46/21/868954621.db2.gz XVHBONPWGALXFM-GFCCVEGCSA-N 0 1 406.389 4.078 20 5 HIBDMN CCOc1cc(NC(=O)N(C)Cc2cc(C(C)(C)C)[nH]n2)c([N+](=O)[O-])cc1OCC ZINC000444832095 869039553 /nfs/dbraw/zinc/03/95/53/869039553.db2.gz CTEDYONRMDUCDM-UHFFFAOYSA-N 0 1 419.482 4.077 20 5 HIBDMN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000445177253 869262908 /nfs/dbraw/zinc/26/29/08/869262908.db2.gz GNWYDPPYKXSMDX-PKOBYXMFSA-N 0 1 411.505 4.247 20 5 HIBDMN COc1cc(C)cc(C)c1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000446765251 870677656 /nfs/dbraw/zinc/67/76/56/870677656.db2.gz NOOGSFCMHOGQCV-UHFFFAOYSA-N 0 1 404.366 4.040 20 5 HIBDMN Cc1ccc(S(=O)(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)c([N+](=O)[O-])c1 ZINC000447265816 871148048 /nfs/dbraw/zinc/14/80/48/871148048.db2.gz IQMMOYLYLDXTAL-UHFFFAOYSA-N 0 1 421.381 4.170 20 5 HIBDMN Cc1ccc([C@H](C)NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000447554202 871435304 /nfs/dbraw/zinc/43/53/04/871435304.db2.gz UQLZUYFDJWELNT-LBPRGKRZSA-N 0 1 416.421 4.176 20 5 HIBDMN COc1cc(OC)cc([C@@H](N[C@H](C)CCc2ccccc2[N+](=O)[O-])c2nccn2C)c1 ZINC000468510538 882513623 /nfs/dbraw/zinc/51/36/23/882513623.db2.gz GZTJJTUZRAXDBF-OPAMFIHVSA-N 0 1 424.501 4.046 20 5 HIBDMN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000448312989 872247566 /nfs/dbraw/zinc/24/75/66/872247566.db2.gz YMRJFUOYOMJXCA-OAHLLOKOSA-N 0 1 421.419 4.350 20 5 HIBDMN Cc1c(Cl)cc(S(=O)(=O)Nc2ccccc2CC(F)(F)F)cc1[N+](=O)[O-] ZINC000460822761 873707033 /nfs/dbraw/zinc/70/70/33/873707033.db2.gz NMXXHWSQWZBOLU-UHFFFAOYSA-N 0 1 408.785 4.462 20 5 HIBDMN O=C(NC1(c2cccc(C(F)(F)F)c2)CCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000461377742 874383765 /nfs/dbraw/zinc/38/37/65/874383765.db2.gz NKAXWZYMAMZHOL-UHFFFAOYSA-N 0 1 404.348 4.299 20 5 HIBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CSc2ccccc21 ZINC000462330427 875447949 /nfs/dbraw/zinc/44/79/49/875447949.db2.gz FTDJZALKGYLHAS-NSHDSACASA-N 0 1 405.284 4.027 20 5 HIBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCc1ccc(Cl)s1 ZINC000462509249 875627114 /nfs/dbraw/zinc/62/71/14/875627114.db2.gz DIRMGRHBUHYSAX-UHFFFAOYSA-N 0 1 415.707 4.138 20 5 HIBDMN O=C1C[C@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CN1[C@H]1C[C@H]1c1ccccc1 ZINC000462755174 875819395 /nfs/dbraw/zinc/81/93/95/875819395.db2.gz LBNYPWAXJLZXOY-XJABCFGWSA-N 0 1 417.465 4.101 20 5 HIBDMN O=C1C[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CN1[C@@H]1C[C@H]1c1ccccc1 ZINC000462756777 875821222 /nfs/dbraw/zinc/82/12/22/875821222.db2.gz PNSMUEOBOWESBQ-YUXAGFNASA-N 0 1 417.465 4.101 20 5 HIBDMN O=C1C[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CN1[C@H]1C[C@@H]1c1ccccc1 ZINC000462756770 875821284 /nfs/dbraw/zinc/82/12/84/875821284.db2.gz PNSMUEOBOWESBQ-BWAGFHJFSA-N 0 1 417.465 4.101 20 5 HIBDMN O=C(c1ccccc1)c1ccc(Nc2cccc(N3CCC[NH+]=C3[O-])c2)c([N+](=O)[O-])c1 ZINC000462939756 875963260 /nfs/dbraw/zinc/96/32/60/875963260.db2.gz FCCCVTICCPKXQP-UHFFFAOYSA-N 0 1 416.437 4.489 20 5 HIBDMN Cc1ccc(CN[C@@H](C)c2ccc(Br)cc2OCCCO)cc1[N+](=O)[O-] ZINC000463026213 876045772 /nfs/dbraw/zinc/04/57/72/876045772.db2.gz VSQLWXYLLJNPEU-AWEZNQCLSA-N 0 1 423.307 4.278 20 5 HIBDMN CCCOc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c(C)c1 ZINC000463530530 876605859 /nfs/dbraw/zinc/60/58/59/876605859.db2.gz CJTWQEGKSHZQAN-UHFFFAOYSA-N 0 1 401.444 4.041 20 5 HIBDMN O=C(NCCc1nc2ccc(F)cc2[nH]1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000467478842 881298570 /nfs/dbraw/zinc/29/85/70/881298570.db2.gz WLVHNFSEVSFLFW-UHFFFAOYSA-N 0 1 419.416 4.326 20 5 HIBDMN Cc1ccc([C@@H](C)N[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc1[N+](=O)[O-] ZINC000469283694 883381479 /nfs/dbraw/zinc/38/14/79/883381479.db2.gz YDDYRMUDJGMXMG-KUHUBIRLSA-N 0 1 403.429 4.023 20 5 HIBDMN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000470134533 884398355 /nfs/dbraw/zinc/39/83/55/884398355.db2.gz SEWHLSRUMISKTI-CQSZACIVSA-N 0 1 416.457 4.311 20 5 HIBDMN CN(C)[C@@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21)c1cccc(C(F)(F)F)c1 ZINC000470599560 885024374 /nfs/dbraw/zinc/02/43/74/885024374.db2.gz JVZMXKWNUOGSOT-KRWDZBQOSA-N 0 1 420.391 4.128 20 5 HIBDMN O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000470634959 885060768 /nfs/dbraw/zinc/06/07/68/885060768.db2.gz RYJZJTHWJBMKLD-GOSISDBHSA-N 0 1 413.865 4.214 20 5 HIBDMN COc1cccc([C@H]2[C@@H](NC(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)CCN2C2CC2)c1 ZINC000471988157 886815422 /nfs/dbraw/zinc/81/54/22/886815422.db2.gz HIGFNPTUFQAJAJ-UGKGYDQZSA-N 0 1 424.501 4.320 20 5 HIBDMN COC(=O)COc1ccc(CNCc2ccc(-c3ccccc3)c(C)c2)cc1[N+](=O)[O-] ZINC000473994821 888855032 /nfs/dbraw/zinc/85/50/32/888855032.db2.gz PQPQHWWUPBRDGB-UHFFFAOYSA-N 0 1 420.465 4.412 20 5 HIBDMN CN(C)Cc1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1F ZINC000475223821 890094461 /nfs/dbraw/zinc/09/44/61/890094461.db2.gz JIZGAPQQKCDJLY-UHFFFAOYSA-N 0 1 414.359 4.136 20 5 HIBDMN COc1cc(CNCc2ccc3ncccc3c2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000475332042 890252816 /nfs/dbraw/zinc/25/28/16/890252816.db2.gz MDOFKIUPLVOYPH-UHFFFAOYSA-N 0 1 421.375 4.383 20 5 HIBDMN Cc1ccc([C@H](N[C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccn2)cc1 ZINC000475338972 890260232 /nfs/dbraw/zinc/26/02/32/890260232.db2.gz PHOHXQQMVHIBSJ-HXOBKFHXSA-N 0 1 404.470 4.395 20 5 HIBDMN CC(C)(CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCc2ccccc2C1 ZINC000504738105 913475353 /nfs/dbraw/zinc/47/53/53/913475353.db2.gz TWELQJXROSCHAE-UHFFFAOYSA-N 0 1 402.882 4.207 20 5 HIBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@H]1c1ccc(Br)s1 ZINC000504838500 913561808 /nfs/dbraw/zinc/56/18/08/913561808.db2.gz JKXHHNKMMHCCCS-LBPRGKRZSA-N 0 1 421.276 4.272 20 5 HIBDMN O=[N+]([O-])c1cccc(-c2noc(-c3[nH]nc(-c4ccccc4)c3Br)n2)c1 ZINC000504969624 913709407 /nfs/dbraw/zinc/70/94/07/913709407.db2.gz QZNNQYNOZNZYHI-UHFFFAOYSA-N 0 1 412.203 4.464 20 5 HIBDMN COc1cc(C(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)cc([N+](=O)[O-])c1C ZINC000479142367 894413353 /nfs/dbraw/zinc/41/33/53/894413353.db2.gz QDLVNBOEZOBJLN-MRXNPFEDSA-N 0 1 414.849 4.419 20 5 HIBDMN Cc1nc2cc(Cl)c(NS(=O)(=O)c3c(F)cccc3[N+](=O)[O-])cc2s1 ZINC000479279882 894556448 /nfs/dbraw/zinc/55/64/48/894556448.db2.gz KJSSOHLJAHDZGR-UHFFFAOYSA-N 0 1 401.828 4.106 20 5 HIBDMN CO[C@@H](c1ccccc1Cl)[C@@H](C)NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000481394043 896800514 /nfs/dbraw/zinc/80/05/14/896800514.db2.gz UDOJAKMVCDRBPD-ADLMAVQZSA-N 0 1 412.273 4.206 20 5 HIBDMN Cn1cc([C@H](NCCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)c2ccc(F)cc2)cn1 ZINC000481437128 896836240 /nfs/dbraw/zinc/83/62/40/896836240.db2.gz ORZOOQGBFYJOGI-JOCHJYFZSA-N 0 1 421.432 4.044 20 5 HIBDMN Cc1nc(-c2ccc([C@H](C)NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)cc2)cs1 ZINC000481638729 897022605 /nfs/dbraw/zinc/02/26/05/897022605.db2.gz IWBQXLFMICTHAW-NSHDSACASA-N 0 1 407.455 4.394 20 5 HIBDMN CCCOc1cc(NC(=O)N[C@H]2CCCc3cn[nH]c32)c([N+](=O)[O-])cc1OCCC ZINC000482743353 898347436 /nfs/dbraw/zinc/34/74/36/898347436.db2.gz CRGOKMGHNHBZPZ-AWEZNQCLSA-N 0 1 417.466 4.095 20 5 HIBDMN CO[C@@H]1CCCC[C@H]1N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000483731718 899391316 /nfs/dbraw/zinc/39/13/16/899391316.db2.gz PWSIGIMMVGPVIG-AQNXPRMDSA-N 0 1 417.893 4.475 20 5 HIBDMN O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505747077 914423554 /nfs/dbraw/zinc/42/35/54/914423554.db2.gz FMONXFGVXIMVPD-HXUWFJFHSA-N 0 1 401.422 4.344 20 5 HIBDMN C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC(F)(F)F)cc1 ZINC000484851470 900245079 /nfs/dbraw/zinc/24/50/79/900245079.db2.gz AJIJORDBPMTYSF-JTQLQIEISA-N 0 1 417.771 4.436 20 5 HIBDMN O=[N+]([O-])c1ccc(-c2nnc(CSc3nc(C=Cc4ccccc4)n[nH]3)o2)cc1 ZINC000485104468 900412614 /nfs/dbraw/zinc/41/26/14/900412614.db2.gz UYMJSKAXFUVUHH-WDZFZDKYSA-N 0 1 406.427 4.226 20 5 HIBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(-c2cc3ccccc3o2)n[nH]1 ZINC000485133522 900434552 /nfs/dbraw/zinc/43/45/52/900434552.db2.gz NAXBKSMEPBXBQO-NSHDSACASA-N 0 1 409.427 4.245 20 5 HIBDMN Cc1ccc(-c2nc(=O)c3sc(-c4ccc5c(c4)OCCO5)cc3[nH]2)cc1[N+](=O)[O-] ZINC000486437963 901595782 /nfs/dbraw/zinc/59/57/82/901595782.db2.gz XQTDRPZDWSFUAQ-UHFFFAOYSA-N 0 1 421.434 4.306 20 5 HIBDMN O=C(Nc1ccn(-c2ccncc2)n1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000486804905 901864679 /nfs/dbraw/zinc/86/46/79/901864679.db2.gz MRSJDMUFSJMCHG-UHFFFAOYSA-N 0 1 414.425 4.040 20 5 HIBDMN Cc1ccc2nc([C@H]3CCCN(C(=O)Cc4c(F)cc([N+](=O)[O-])cc4F)C3)[nH]c2c1 ZINC000486931643 901973452 /nfs/dbraw/zinc/97/34/52/901973452.db2.gz FREJLHPXNORYJC-ZDUSSCGKSA-N 0 1 414.412 4.006 20 5 HIBDMN COc1ccc(-c2n[nH]c(Sc3c4ccccc4ncc3[N+](=O)[O-])n2)c(OC)c1 ZINC000488092792 902596315 /nfs/dbraw/zinc/59/63/15/902596315.db2.gz RRQFTRIQCZBIJD-UHFFFAOYSA-N 0 1 409.427 4.097 20 5 HIBDMN Cc1nc(SCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[nH]c1-c1ccccc1 ZINC000488239970 902715455 /nfs/dbraw/zinc/71/54/55/902715455.db2.gz YTHYEINDHYZZNC-UHFFFAOYSA-N 0 1 410.455 4.384 20 5 HIBDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)n[nH]1 ZINC000489227160 903274990 /nfs/dbraw/zinc/27/49/90/903274990.db2.gz XHRYUVXPOKDNMD-OLZOCXBDSA-N 0 1 405.524 4.466 20 5 HIBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000490361664 903953739 /nfs/dbraw/zinc/95/37/39/903953739.db2.gz FFVQIQQGESBOQO-KGLIPLIRSA-N 0 1 417.347 4.141 20 5 HIBDMN COc1cc([C@@H](C)NCc2ccc([N+](=O)[O-])c(OC)c2)ccc1OCc1ccncc1 ZINC000493005800 904982879 /nfs/dbraw/zinc/98/28/79/904982879.db2.gz AGXLSQNREMDTQD-MRXNPFEDSA-N 0 1 423.469 4.437 20 5 HIBDMN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H](C)c1nc(-c2cc(C)ccn2)n[nH]1 ZINC000494427334 905714209 /nfs/dbraw/zinc/71/42/09/905714209.db2.gz SOLSCCVHDDGSID-HUUCEWRRSA-N 0 1 412.519 4.305 20 5 HIBDMN C[C@@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc(N2CCOCC2)c1 ZINC000494512348 905803501 /nfs/dbraw/zinc/80/35/01/905803501.db2.gz RXIUSROSSFFPPU-CQSZACIVSA-N 0 1 409.408 4.301 20 5 HIBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(COc2ccccc2)CC1 ZINC000496867903 906770991 /nfs/dbraw/zinc/77/09/91/906770991.db2.gz LPDXKSRKUJYFTB-INIZCTEOSA-N 0 1 408.458 4.497 20 5 HIBDMN COc1ccc(CCCN(C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000497471933 906954483 /nfs/dbraw/zinc/95/44/83/906954483.db2.gz ISSOCUULAHQWFW-AWEZNQCLSA-N 0 1 405.882 4.148 20 5 HIBDMN O=C(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000497910592 907382142 /nfs/dbraw/zinc/38/21/42/907382142.db2.gz LAOYWBMLVRKRDO-FQEVSTJZSA-N 0 1 424.888 4.363 20 5 HIBDMN O=[N+]([O-])c1ccccc1CNCc1ccc(I)c(Cl)c1 ZINC000500448699 909865885 /nfs/dbraw/zinc/86/58/85/909865885.db2.gz RTAXTDYHSLJUQN-UHFFFAOYSA-N 0 1 402.619 4.143 20 5 HIBDMN Cc1cccc(CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])Cc2ccccn2)c1 ZINC000501059628 910268860 /nfs/dbraw/zinc/26/88/60/910268860.db2.gz NJSZYBRPYAMDCA-UHFFFAOYSA-N 0 1 404.470 4.329 20 5 HIBDMN COc1cc(CN2CCC[C@H](n3cccn3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000513153749 921588181 /nfs/dbraw/zinc/58/81/81/921588181.db2.gz LMEWBNRASGDBNI-NRFANRHFSA-N 0 1 422.485 4.216 20 5 HIBDMN Cc1nnc(NC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)[nH]1 ZINC000502678354 911720203 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ZIKDGRYVLFHGNM-IBGZPJMESA-N 0 1 416.441 4.229 20 5 HIBDMN O=[N+]([O-])c1ccc(CNCc2ccccc2-c2ccc(Cn3cncn3)cc2)c(F)c1 ZINC000507842521 916652012 /nfs/dbraw/zinc/65/20/12/916652012.db2.gz XRTBYFMRBBEKAA-UHFFFAOYSA-N 0 1 417.444 4.331 20 5 HIBDMN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2nc(-c3ccco3)n[nH]2)cc1 ZINC000509157018 917875710 /nfs/dbraw/zinc/87/57/10/917875710.db2.gz MYCVOJWXKVFFSC-UHFFFAOYSA-N 0 1 421.369 4.026 20 5 HIBDMN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(-c2nnc[nH]2)c1 ZINC000509785379 918393722 /nfs/dbraw/zinc/39/37/22/918393722.db2.gz BEJHLAKTRFEAKG-UHFFFAOYSA-N 0 1 423.376 4.130 20 5 HIBDMN O=C(NC1(c2ccc(Br)cc2)CCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000509896384 918497570 /nfs/dbraw/zinc/49/75/70/918497570.db2.gz UHEZZIDHJSXWHP-UHFFFAOYSA-N 0 1 415.247 4.043 20 5 HIBDMN COc1cc(CN[C@@H]2CCCc3nn(C)cc32)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000509950168 918546660 /nfs/dbraw/zinc/54/66/60/918546660.db2.gz YWYIMAHBNQKAIO-HXUWFJFHSA-N 0 1 422.485 4.083 20 5 HIBDMN CCN(CC)[C@@H](C(=O)NCc1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000510478145 918931854 /nfs/dbraw/zinc/93/18/54/918931854.db2.gz ZJKUIRMEOKITSW-GOSISDBHSA-N 0 1 409.408 4.313 20 5 HIBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(COc2ccccc2-c2nnc[nH]2)cc1OC ZINC000513580397 921911873 /nfs/dbraw/zinc/91/18/73/921911873.db2.gz NPZJWALXEZXNOS-CQSZACIVSA-N 0 1 412.446 4.392 20 5 HIBDMN COc1ccc([C@H](N[C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])c2nccn2C)cc1 ZINC000513789002 922116417 /nfs/dbraw/zinc/11/64/17/922116417.db2.gz BAUMNPFTOKNASX-ZEYPLWLESA-N 0 1 420.513 4.427 20 5 HIBDMN CCOc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OCC ZINC000514786587 922802073 /nfs/dbraw/zinc/80/20/73/922802073.db2.gz HEHPTPZQQBGTHC-GJZGRUSLSA-N 0 1 401.463 4.070 20 5 HIBDMN O=C(CNCc1ccc(-c2ccccc2[N+](=O)[O-])s1)N1CCCc2ccccc21 ZINC000518277458 927134924 /nfs/dbraw/zinc/13/49/24/927134924.db2.gz OGCJWQNGWXKMSV-UHFFFAOYSA-N 0 1 407.495 4.392 20 5 HIBDMN O=C(NCC1CCN(Cc2ccccc2Cl)CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000518519831 927322438 /nfs/dbraw/zinc/32/24/38/927322438.db2.gz HAJDMNWQJYNZHE-UHFFFAOYSA-N 0 1 402.882 4.282 20 5 HIBDMN Cc1cc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c(F)cc1Br ZINC000520735074 928783706 /nfs/dbraw/zinc/78/37/06/928783706.db2.gz VRVMWUHTEMLWCT-UHFFFAOYSA-N 0 1 423.647 4.259 20 5 HIBDMN CN(C)C(=O)c1cccc(CNCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)c1 ZINC000520951068 928886308 /nfs/dbraw/zinc/88/63/08/928886308.db2.gz NNKTZDIQHYNPFL-UHFFFAOYSA-N 0 1 418.497 4.354 20 5 HIBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(N(C)C)cc1C(F)(F)F ZINC000521025694 928943520 /nfs/dbraw/zinc/94/35/20/928943520.db2.gz WLWNOEROHNDDIU-UHFFFAOYSA-N 0 1 417.409 4.043 20 5 HIBDMN Cc1ccc([C@H](C)NC(=O)NC[C@H](c2ccc(Cl)cc2)N(C)C)cc1[N+](=O)[O-] ZINC000530994149 930879184 /nfs/dbraw/zinc/87/91/84/930879184.db2.gz VPFNTIKZCOZGDK-IFXJQAMLSA-N 0 1 404.898 4.220 20 5 HIBDMN O=C(Nc1ccccc1Br)C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000533373007 931852015 /nfs/dbraw/zinc/85/20/15/931852015.db2.gz XDNMVOQBGYMSCN-UHFFFAOYSA-N 0 1 418.291 4.208 20 5 HIBDMN C[C@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](c2ccc(F)cc2)O1 ZINC000533438371 931869190 /nfs/dbraw/zinc/86/91/90/931869190.db2.gz DXRRXAJLZPUDBZ-YCRPNKLZSA-N 0 1 411.433 4.393 20 5 HIBDMN COc1ccc(NC(=O)[C@H](NCCc2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000533962806 932137763 /nfs/dbraw/zinc/13/77/63/932137763.db2.gz ZIUNSECLHHJZBF-JOCHJYFZSA-N 0 1 405.454 4.116 20 5 HIBDMN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@@H](C3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000535115198 932933207 /nfs/dbraw/zinc/93/32/07/932933207.db2.gz DLRLIBPPFGGOLF-OFNKIYASSA-N 0 1 423.513 4.332 20 5 HIBDMN Cc1c(C(=O)NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000535682030 933333922 /nfs/dbraw/zinc/33/39/22/933333922.db2.gz UPUVLKLUDCSWSP-LIRRHRJNSA-N 0 1 405.857 4.119 20 5 HIBDMN O=C(NCCN1CC=CCC1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000537721254 938362818 /nfs/dbraw/zinc/36/28/18/938362818.db2.gz XTGIPGHPAQJETQ-UHFFFAOYSA-N 0 1 401.850 4.032 20 5 HIBDMN CCOc1ccc([C@@H](C)N[C@@H](CO)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000537963942 938437055 /nfs/dbraw/zinc/43/70/55/938437055.db2.gz AIDDNACVQCSSPF-WBMJQRKESA-N 0 1 409.280 4.140 20 5 HIBDMN COc1ccc(CN[C@H](C)c2ccc(I)cc2)cc1[N+](=O)[O-] ZINC000537969989 938439868 /nfs/dbraw/zinc/43/98/68/938439868.db2.gz BGHFUVGIVGGUBY-LLVKDONJSA-N 0 1 412.227 4.059 20 5 HIBDMN CC[C@@H](NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000537991302 938453220 /nfs/dbraw/zinc/45/32/20/938453220.db2.gz QWQXTBLURGEBLS-OAQYLSRUSA-N 0 1 417.531 4.010 20 5 HIBDMN Cc1ccc2nc([C@H]3CCCN([C@H](C)C(=O)Nc4cccc([N+](=O)[O-])c4C)C3)[nH]c2c1 ZINC000538148516 938521678 /nfs/dbraw/zinc/52/16/78/938521678.db2.gz WABREDSZYHXTDB-SJORKVTESA-N 0 1 421.501 4.295 20 5 HIBDMN CN(C(=O)CN[C@H](COc1ccccc1F)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000538167548 938532944 /nfs/dbraw/zinc/53/29/44/938532944.db2.gz ONWDPYNXQMSGQS-OAQYLSRUSA-N 0 1 423.444 4.107 20 5 HIBDMN Cc1ccc([C@H](C)NCC(=O)NCc2ccc(F)cc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000538278668 938581957 /nfs/dbraw/zinc/58/19/57/938581957.db2.gz FLFIOVZQRXEMRE-LBPRGKRZSA-N 0 1 413.371 4.028 20 5 HIBDMN Cc1c(CC(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)cccc1[N+](=O)[O-] ZINC000538648291 938672662 /nfs/dbraw/zinc/67/26/62/938672662.db2.gz VPCUQYBENBBOFY-GOSISDBHSA-N 0 1 411.506 4.018 20 5 HIBDMN O=C1C[C@]2(CN1)CCCN(Cc1ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c1)C2 ZINC000538738167 938697850 /nfs/dbraw/zinc/69/78/50/938697850.db2.gz DAHZXONZYSYHRJ-NRFANRHFSA-N 0 1 415.877 4.143 20 5 HIBDMN C[C@@H](c1cccc(F)c1)N1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000538782594 938709061 /nfs/dbraw/zinc/70/90/61/938709061.db2.gz UTQXFFKNASELKC-KRWDZBQOSA-N 0 1 424.476 4.310 20 5 HIBDMN O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CCCN(Cc2ccccc2)CC1 ZINC000539073258 938794224 /nfs/dbraw/zinc/79/42/24/938794224.db2.gz KPJXSIOJWVQEOG-UHFFFAOYSA-N 0 1 416.481 4.005 20 5 HIBDMN COc1ccc(NC(=O)CN[C@H](C)c2ccc(SC(C)C)cc2)c([N+](=O)[O-])c1 ZINC000539301392 938837039 /nfs/dbraw/zinc/83/70/39/938837039.db2.gz GROWSVGSBNYLRX-CQSZACIVSA-N 0 1 403.504 4.393 20 5 HIBDMN COc1ccc(NC(=O)CN[C@@H](c2ccccc2F)C2CCCC2)c([N+](=O)[O-])c1 ZINC000539324602 938841435 /nfs/dbraw/zinc/84/14/35/938841435.db2.gz ANUNYLRAPNAPJI-OAQYLSRUSA-N 0 1 401.438 4.202 20 5 HIBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000539327137 938842236 /nfs/dbraw/zinc/84/22/36/938842236.db2.gz UYTGNDYRWFUURY-CQSZACIVSA-N 0 1 401.438 4.120 20 5 HIBDMN COc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(-c3cccnc3)cc2)c([N+](=O)[O-])c1 ZINC000539333491 938843226 /nfs/dbraw/zinc/84/32/26/938843226.db2.gz CVLPVLKZZZOZGT-HOTGVXAUSA-N 0 1 420.469 4.343 20 5 HIBDMN O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1ccccc1[N+](=O)[O-] ZINC000539892385 938968801 /nfs/dbraw/zinc/96/88/01/938968801.db2.gz AWWRJJJKDRLFRU-UHFFFAOYSA-N 0 1 400.263 4.378 20 5 HIBDMN COc1cc([C@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1OC(C)C ZINC000540354974 939206041 /nfs/dbraw/zinc/20/60/41/939206041.db2.gz WJGPYADTHOAFFR-ZDUSSCGKSA-N 0 1 421.881 4.333 20 5 HIBDMN COc1cc(CN[C@H](C)c2ccc(-n3cccn3)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000540437483 939249339 /nfs/dbraw/zinc/24/93/39/939249339.db2.gz BTPICOPOKWPXHF-CYBMUJFWSA-N 0 1 418.400 4.241 20 5 HIBDMN Cc1ccc([C@H](C)NCC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000540476787 939267945 /nfs/dbraw/zinc/26/79/45/939267945.db2.gz RIWKEBYPRSEHOK-INIZCTEOSA-N 0 1 419.485 4.256 20 5 HIBDMN Cc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2nc3ccc(F)cc3s2)cc1[N+](=O)[O-] ZINC000540478444 939268977 /nfs/dbraw/zinc/26/89/77/939268977.db2.gz GRSPZTAKOQTUHN-RYUDHWBXSA-N 0 1 402.451 4.330 20 5 HIBDMN CCc1ccc([C@@H](NCCCNC(=O)c2occc2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541564899 939556484 /nfs/dbraw/zinc/55/64/84/939556484.db2.gz IKVCJWSRKVXTPY-FQEVSTJZSA-N 0 1 411.458 4.151 20 5 HIBDMN COc1ccc([C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)N2CCCCC2)cc1 ZINC000541780469 939628249 /nfs/dbraw/zinc/62/82/49/939628249.db2.gz NSILWHCFRAYBRB-FQEVSTJZSA-N 0 1 416.453 4.091 20 5 HIBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)c1 ZINC000541784000 939629209 /nfs/dbraw/zinc/62/92/09/939629209.db2.gz XAQBHMAQXWHLEC-UHFFFAOYSA-N 0 1 417.409 4.097 20 5 HIBDMN COc1ccccc1[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)N1CCCCC1 ZINC000542714266 939856092 /nfs/dbraw/zinc/85/60/92/939856092.db2.gz YGIAGIKDQUZVKM-IBGZPJMESA-N 0 1 416.453 4.091 20 5 HIBDMN Cc1ccc([C@@H](CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])N2CCCC2)o1 ZINC000543281730 940017416 /nfs/dbraw/zinc/01/74/16/940017416.db2.gz MKYIFXCHRJFHNW-MRXNPFEDSA-N 0 1 423.922 4.195 20 5 HIBDMN CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000543556582 940107425 /nfs/dbraw/zinc/10/74/25/940107425.db2.gz FXLNRXREVDVEGV-QFBILLFUSA-N 0 1 421.856 4.178 20 5 HIBDMN C[C@@H](C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000543561518 940109288 /nfs/dbraw/zinc/10/92/88/940109288.db2.gz RCCPSIHTHKFTSL-VLIAUNLRSA-N 0 1 419.884 4.444 20 5 HIBDMN 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ZINC000551600038 941509806 /nfs/dbraw/zinc/50/98/06/941509806.db2.gz QXRYFKIAHLMIDO-HNNXBMFYSA-N 0 1 421.419 4.350 20 5 HIBDMN Cc1[nH]ncc1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 ZINC000552725664 941746309 /nfs/dbraw/zinc/74/63/09/941746309.db2.gz ZHKGZTSAFCMJRP-UHFFFAOYSA-N 0 1 406.442 4.438 20 5 HIBDMN COc1ccc(-c2[nH]ncc2C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000552741876 941750244 /nfs/dbraw/zinc/75/02/44/941750244.db2.gz LZNARWSQKRKFPV-UHFFFAOYSA-N 0 1 417.219 4.008 20 5 HIBDMN CC[C@H](C)N[C@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccco1 ZINC000554633964 942180601 /nfs/dbraw/zinc/18/06/01/942180601.db2.gz IFOWTKFANQKZEU-YCRPNKLZSA-N 0 1 403.482 4.134 20 5 HIBDMN O=[N+]([O-])c1cccc([C@@H](NCc2cccc(N3CCOCC3)c2)c2ccccc2)c1 ZINC000556218112 942820360 /nfs/dbraw/zinc/82/03/60/942820360.db2.gz QVIBEMKXZMTVCP-DEOSSOPVSA-N 0 1 403.482 4.311 20 5 HIBDMN Cc1ccc2c(CCN[C@@H](c3nccn3C)c3ccc([N+](=O)[O-])cc3)cn(C)c2c1 ZINC000556893003 942954593 /nfs/dbraw/zinc/95/45/93/942954593.db2.gz SLOMMTWCDMTWRV-JOCHJYFZSA-N 0 1 403.486 4.050 20 5 HIBDMN Cc1[nH]ncc1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC1 ZINC000557156519 943033966 /nfs/dbraw/zinc/03/39/66/943033966.db2.gz FCJFLUAZLHWRBL-UHFFFAOYSA-N 0 1 419.485 4.258 20 5 HIBDMN C[C@H](N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000558086370 943376898 /nfs/dbraw/zinc/37/68/98/943376898.db2.gz SKALTRIKSBQYTE-MBSDFSHPSA-N 0 1 403.482 4.173 20 5 HIBDMN COc1ccc(CN2CC[C@H](n3cc(C)cn3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000558576482 943605030 /nfs/dbraw/zinc/60/50/30/943605030.db2.gz BNYGFURFHWMZJU-NRFANRHFSA-N 0 1 422.485 4.134 20 5 HIBDMN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCC[C@@H](c3nnc4ccccn43)C2)c1 ZINC000559094003 943835749 /nfs/dbraw/zinc/83/57/49/943835749.db2.gz AORHMKCESKJLBF-CYBMUJFWSA-N 0 1 405.380 4.036 20 5 HIBDMN CC(C)(C(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1)c1ccccc1[N+](=O)[O-] ZINC000559408970 943938772 /nfs/dbraw/zinc/93/87/72/943938772.db2.gz IOXCWRARKPDHHO-UHFFFAOYSA-N 0 1 419.485 4.064 20 5 HIBDMN COc1ccc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c(C(F)(F)F)c1 ZINC000559565644 944006943 /nfs/dbraw/zinc/00/69/43/944006943.db2.gz CAUSWVNADAUPOJ-UHFFFAOYSA-N 0 1 424.784 4.385 20 5 HIBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CNC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000559939160 944092820 /nfs/dbraw/zinc/09/28/20/944092820.db2.gz KCCMOTMVRJLSKA-UHFFFAOYSA-N 0 1 411.380 4.086 20 5 HIBDMN CN(C)C[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(F)cc1 ZINC000561757581 944782709 /nfs/dbraw/zinc/78/27/09/944782709.db2.gz LTPAKJAFNARBFH-IBGZPJMESA-N 0 1 400.479 4.250 20 5 HIBDMN CCc1ccc([C@H](N[C@@H]2CCOC3(CCOCC3)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000564258298 945475910 /nfs/dbraw/zinc/47/59/10/945475910.db2.gz UAYDQOVYTASIMD-DYESRHJHSA-N 0 1 400.475 4.157 20 5 HIBDMN O=[N+]([O-])c1cc(I)cc(CN[C@@H]2CCc3ccc(F)cc32)c1 ZINC000567202896 946270093 /nfs/dbraw/zinc/27/00/93/946270093.db2.gz OIXSRUPHYXSZJX-MRXNPFEDSA-N 0 1 412.202 4.116 20 5 HIBDMN O=[N+]([O-])c1cc(I)cc(CNC2(c3ccc(F)cc3)CC2)c1 ZINC000567548229 946371924 /nfs/dbraw/zinc/37/19/24/946371924.db2.gz XJBMUWIUWKPRFC-UHFFFAOYSA-N 0 1 412.202 4.117 20 5 HIBDMN C[C@@H](C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000568699585 946666158 /nfs/dbraw/zinc/66/61/58/946666158.db2.gz MTMHGSYGNSWYAJ-FZKQIMNGSA-N 0 1 409.408 4.136 20 5 HIBDMN COC[C@@]1(CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)OCCc2ccccc21 ZINC000570889129 947386000 /nfs/dbraw/zinc/38/60/00/947386000.db2.gz KKUNAPJTVZSZFG-LOSJGSFVSA-N 0 1 418.493 4.388 20 5 HIBDMN CCO[C@@H]1C[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[C@@H]1n1cccn1 ZINC000571422005 947639148 /nfs/dbraw/zinc/63/91/48/947639148.db2.gz NJGBHZCAQFEYHQ-SXLOBPIMSA-N 0 1 416.865 4.213 20 5 HIBDMN CN(C)[C@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000571962678 947823284 /nfs/dbraw/zinc/82/32/84/947823284.db2.gz HKDCYYUEQMUIRT-GOSISDBHSA-N 0 1 404.898 4.085 20 5 HIBDMN O=[N+]([O-])c1ccc2ccc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)nc2c1 ZINC001164695285 719890787 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CCOc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OCC ZINC000042635921 848336350 /nfs/dbraw/zinc/33/63/50/848336350.db2.gz BJYDMGKTEAEHHZ-HOTGVXAUSA-N 0 1 415.490 4.378 20 5 HIBDMN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](NCCc1ccccn1)c1ccccc1 ZINC000043305262 848406813 /nfs/dbraw/zinc/40/68/13/848406813.db2.gz NYAAFDPWBDYTAF-FQEVSTJZSA-N 0 1 410.861 4.155 20 5 HIBDMN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000045182348 848643169 /nfs/dbraw/zinc/64/31/69/848643169.db2.gz RSOYRIJTTAZBTK-UHFFFAOYSA-N 0 1 416.909 4.054 20 5 HIBDMN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000047345247 849029562 /nfs/dbraw/zinc/02/95/62/849029562.db2.gz RTULTKFVRAOOES-UHFFFAOYSA-N 0 1 406.845 4.173 20 5 HIBDMN CN(CC1CC1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000053183742 849676902 /nfs/dbraw/zinc/67/69/02/849676902.db2.gz DZGMORYJFYBYKQ-SFHVURJKSA-N 0 1 418.291 4.379 20 5 HIBDMN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c(C(F)(F)F)c1 ZINC000054293350 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O=[N+]([O-])c1cc(Br)cnc1Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000301702824 854447707 /nfs/dbraw/zinc/44/77/07/854447707.db2.gz UIMNUXAOHMFTSH-UHFFFAOYSA-N 0 1 412.656 4.342 20 5 HIBDMN CCN1CCN(c2ccccc2NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000301750187 854458831 /nfs/dbraw/zinc/45/88/31/854458831.db2.gz PUALQHDBKALSQE-UHFFFAOYSA-N 0 1 410.499 4.204 20 5 HIBDMN Cc1ccc(NC(=O)[C@@H]2CCCN(c3cc(C)nc4ccc([N+](=O)[O-])cc43)C2)nc1 ZINC000302201211 854548753 /nfs/dbraw/zinc/54/87/53/854548753.db2.gz VFEHSEBDCUROAR-MRXNPFEDSA-N 0 1 405.458 4.010 20 5 HIBDMN Cc1ccc(NC(=O)[C@H]2CCCN(c3cc(C)nc4ccc([N+](=O)[O-])cc43)C2)nc1 ZINC000302201210 854549108 /nfs/dbraw/zinc/54/91/08/854549108.db2.gz VFEHSEBDCUROAR-INIZCTEOSA-N 0 1 405.458 4.010 20 5 HIBDMN O=[N+]([O-])c1ccc(N[C@H]2CCN(c3ccnc4cc(C(F)(F)F)ccc43)C2)nc1 ZINC000302768687 854628111 /nfs/dbraw/zinc/62/81/11/854628111.db2.gz BHQNCABSHSDWDR-ZDUSSCGKSA-N 0 1 403.364 4.248 20 5 HIBDMN O=[N+]([O-])c1cccc(OC[C@H](O)CN(Cc2c(F)cccc2F)C2CCCC2)c1 ZINC000303273528 854845156 /nfs/dbraw/zinc/84/51/56/854845156.db2.gz RWCDZZRANBGVNG-QGZVFWFLSA-N 0 1 406.429 4.058 20 5 HIBDMN CCCN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000303920237 855291542 /nfs/dbraw/zinc/29/15/42/855291542.db2.gz VRKYBXMYEVBUQX-ZWKOTPCHSA-N 0 1 400.479 4.061 20 5 HIBDMN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000409936120 855733245 /nfs/dbraw/zinc/73/32/45/855733245.db2.gz DTUYZKQCTFEACP-UHFFFAOYSA-N 0 1 411.849 4.053 20 5 HIBDMN COc1cc(CNCCc2nc3c(cccc3C)o2)c([N+](=O)[O-])cc1OCC(F)F ZINC000410360315 855949563 /nfs/dbraw/zinc/94/95/63/855949563.db2.gz QVDQJEHMCUZQAB-UHFFFAOYSA-N 0 1 421.400 4.029 20 5 HIBDMN COc1ccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1OCc1ccccc1 ZINC000425957464 856017115 /nfs/dbraw/zinc/01/71/15/856017115.db2.gz IOMBEFKPFCVYKL-UHFFFAOYSA-N 0 1 422.485 4.216 20 5 HIBDMN O=C(NC[C@H](c1ccco1)N1CCCCC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426224794 856187869 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/nfs/dbraw/zinc/54/18/54/859541854.db2.gz RAWYMIYROSDVIA-UHFFFAOYSA-N 0 1 424.457 4.042 20 5 HIBDMN C[C@@H]1CN(c2ccc(CN[C@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)cn2)C[C@H](C)O1 ZINC000433178403 859556774 /nfs/dbraw/zinc/55/67/74/859556774.db2.gz RVXPBYOABNBYQJ-MRUHUIDDSA-N 0 1 410.518 4.116 20 5 HIBDMN C[C@@H]1CN(c2ccc(CN[C@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)cn2)C[C@@H](C)O1 ZINC000433178409 859556789 /nfs/dbraw/zinc/55/67/89/859556789.db2.gz RVXPBYOABNBYQJ-ZOCZFRKYSA-N 0 1 410.518 4.116 20 5 HIBDMN CC(=O)Nc1ccc(CNCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)cn1 ZINC000433187482 859559198 /nfs/dbraw/zinc/55/91/98/859559198.db2.gz JUIKWMUVLLZJID-UHFFFAOYSA-N 0 1 405.458 4.006 20 5 HIBDMN CC[C@@H](CS(=O)(=O)c1ccccc1)N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433297985 859623923 /nfs/dbraw/zinc/62/39/23/859623923.db2.gz MYRDXSXJWIVCGO-MGPUTAFESA-N 0 1 402.516 4.159 20 5 HIBDMN CC(C)c1[nH]nc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000433871140 859944135 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SHINTVCGXGSIFW-KRWDZBQOSA-N 0 1 417.893 4.389 20 5 HIBDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000435541414 860856078 /nfs/dbraw/zinc/85/60/78/860856078.db2.gz YFAZWRDVCUAFKC-KRWDZBQOSA-N 0 1 420.513 4.193 20 5 HIBDMN O=C(Nc1nnc(-c2ccsc2)s1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000439248389 864665083 /nfs/dbraw/zinc/66/50/83/864665083.db2.gz QEPWTWYAMUUNFI-UHFFFAOYSA-N 0 1 409.452 4.489 20 5 HIBDMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000439751086 865080656 /nfs/dbraw/zinc/08/06/56/865080656.db2.gz WIEHEJQVGXXCFV-CQSZACIVSA-N 0 1 410.499 4.160 20 5 HIBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000439934506 865234921 /nfs/dbraw/zinc/23/49/21/865234921.db2.gz RXMHCWUIBDKPRZ-QGZVFWFLSA-N 0 1 422.445 4.148 20 5 HIBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000439934506 865234933 /nfs/dbraw/zinc/23/49/33/865234933.db2.gz RXMHCWUIBDKPRZ-QGZVFWFLSA-N 0 1 422.445 4.148 20 5 HIBDMN COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000468037003 881867700 /nfs/dbraw/zinc/86/77/00/881867700.db2.gz LJGXYHJBWVTHIQ-LLVKDONJSA-N 0 1 412.273 4.417 20 5 HIBDMN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000441295575 866370096 /nfs/dbraw/zinc/37/00/96/866370096.db2.gz KQKJDMRWQXMKIQ-QTEQDKRBSA-N 0 1 423.513 4.332 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000441523590 866598860 /nfs/dbraw/zinc/59/88/60/866598860.db2.gz KPJSGLZLLDGFCV-MRXNPFEDSA-N 0 1 400.822 4.110 20 5 HIBDMN O=C(NCCN1CCC2(CCCCC2)CC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000442981901 867775544 /nfs/dbraw/zinc/77/55/44/867775544.db2.gz WIGYHTFVRPQKSB-UHFFFAOYSA-N 0 1 417.553 4.457 20 5 HIBDMN CO[C@@H](C)c1nc(CN2CCCN([C@H](C)c3ccccc3[N+](=O)[O-])CC2)cs1 ZINC000468250670 882155656 /nfs/dbraw/zinc/15/56/56/882155656.db2.gz LPSPEKKGMCYRNP-CVEARBPZSA-N 0 1 404.536 4.028 20 5 HIBDMN CCc1[nH]nc(C(=O)N(CC)[C@H](c2ccc(Cl)cc2)c2ccccn2)c1[N+](=O)[O-] ZINC000444268717 868706234 /nfs/dbraw/zinc/70/62/34/868706234.db2.gz OJFSXIUBLIWAJW-GOSISDBHSA-N 0 1 413.865 4.180 20 5 HIBDMN C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444282951 868712176 /nfs/dbraw/zinc/71/21/76/868712176.db2.gz BIRYVJVNEOPUOT-INIZCTEOSA-N 0 1 417.484 4.071 20 5 HIBDMN CCc1[nH]nc(C(=O)N(C)[C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000444353618 868782040 /nfs/dbraw/zinc/78/20/40/868782040.db2.gz UGVYDLOUNGNKTE-HIFRSBDPSA-N 0 1 410.396 4.307 20 5 HIBDMN CCc1[nH]nc(C(=O)N(C)[C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000444353620 868782178 /nfs/dbraw/zinc/78/21/78/868782178.db2.gz UGVYDLOUNGNKTE-ZFWWWQNUSA-N 0 1 410.396 4.307 20 5 HIBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](C)c1nc2ccccc2n1C(F)F ZINC000444674998 868952754 /nfs/dbraw/zinc/95/27/54/868952754.db2.gz LLPFAICRUZUBJV-CYBMUJFWSA-N 0 1 417.416 4.327 20 5 HIBDMN 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ZINC000462439046 875544794 /nfs/dbraw/zinc/54/47/94/875544794.db2.gz WRMBBLOFTAIYLQ-UHFFFAOYSA-N 0 1 401.680 4.095 20 5 HIBDMN CC(C)Oc1ccccc1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462539022 875660174 /nfs/dbraw/zinc/66/01/74/875660174.db2.gz NCFAZIXDCTYVLI-UHFFFAOYSA-N 0 1 419.286 4.167 20 5 HIBDMN O=C1C[C@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CN1[C@H]1C[C@@H]1c1ccccc1 ZINC000462746347 875814167 /nfs/dbraw/zinc/81/41/67/875814167.db2.gz QKMQJVGIYWUNON-BWAGFHJFSA-N 0 1 417.465 4.101 20 5 HIBDMN Cn1nc2c(c1CNCc1ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c1)CCCC2 ZINC000462874021 875903666 /nfs/dbraw/zinc/90/36/66/875903666.db2.gz ACIGBUVJKLUECA-UHFFFAOYSA-N 0 1 410.449 4.428 20 5 HIBDMN CN(c1ccccc1)c1ccc(CNCc2c3c(nn2C)CCCC3)cc1[N+](=O)[O-] ZINC000462876971 875905673 /nfs/dbraw/zinc/90/56/73/875905673.db2.gz YVFVRNRXZDUOJH-UHFFFAOYSA-N 0 1 405.502 4.265 20 5 HIBDMN O=C(NC[C@H](c1cccs1)N1CCCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463434802 876491893 /nfs/dbraw/zinc/49/18/93/876491893.db2.gz PSRPJKBSFANRGC-OAHLLOKOSA-N 0 1 413.421 4.242 20 5 HIBDMN CSc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)cc1Cl ZINC000464421005 877630708 /nfs/dbraw/zinc/63/07/08/877630708.db2.gz OOXSAJXLDXYTOC-UHFFFAOYSA-N 0 1 409.876 4.319 20 5 HIBDMN COc1cccc(CN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])C2CCC(O)CC2)c1 ZINC000464676716 877894314 /nfs/dbraw/zinc/89/43/14/877894314.db2.gz JADKWUGNSNVGEZ-UHFFFAOYSA-N 0 1 418.465 4.057 20 5 HIBDMN O=C(c1cccc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1)N1CCCCC1 ZINC000464783386 878030737 /nfs/dbraw/zinc/03/07/37/878030737.db2.gz KCTVUIVSWICFLL-UHFFFAOYSA-N 0 1 423.513 4.264 20 5 HIBDMN C[C@@H](N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000467001595 880810241 /nfs/dbraw/zinc/81/02/41/880810241.db2.gz IPGMVNFHXGQQQP-CJNGLKHVSA-N 0 1 407.392 4.065 20 5 HIBDMN Cc1ccc([C@@H](C)N[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc1[N+](=O)[O-] ZINC000469283639 883380735 /nfs/dbraw/zinc/38/07/35/883380735.db2.gz YDDYRMUDJGMXMG-AUUYWEPGSA-N 0 1 403.429 4.023 20 5 HIBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470714405 885154835 /nfs/dbraw/zinc/15/48/35/885154835.db2.gz ROXLPJMPMRKRGG-LBPRGKRZSA-N 0 1 421.240 4.071 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](c1ccc(C)cc1)c1ccccn1 ZINC000471077486 885601918 /nfs/dbraw/zinc/60/19/18/885601918.db2.gz RYAJZPICCHAYDI-HSZRJFAPSA-N 0 1 420.469 4.015 20 5 HIBDMN CCOc1ccc([C@H](C)NCc2cccc(NC(=O)c3ccncc3)c2)cc1[N+](=O)[O-] ZINC000504900342 913632339 /nfs/dbraw/zinc/63/23/39/913632339.db2.gz WBNXWDVHEOUUFS-INIZCTEOSA-N 0 1 420.469 4.492 20 5 HIBDMN CCOc1ccc([C@@H](C)NCc2ccc(C)cc2O[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000504920033 913657071 /nfs/dbraw/zinc/65/70/71/913657071.db2.gz MLNMTAULUSHTIP-APWZRJJASA-N 0 1 400.475 4.320 20 5 HIBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000478423391 893715707 /nfs/dbraw/zinc/71/57/07/893715707.db2.gz XTLTYPVVXALMPU-UHFFFAOYSA-N 0 1 416.359 4.419 20 5 HIBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc3ncsc3c2)cc1C(F)(F)F 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0 1 405.657 4.120 20 5 HIBDMN CC[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1cc(F)cc(Br)c1 ZINC000485849667 901094139 /nfs/dbraw/zinc/09/41/39/901094139.db2.gz RPEWSRXRHZALJZ-INIZCTEOSA-N 0 1 424.270 4.484 20 5 HIBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000486665203 901784026 /nfs/dbraw/zinc/78/40/26/901784026.db2.gz OFOKABQVKYFLEU-GFCCVEGCSA-N 0 1 423.318 4.062 20 5 HIBDMN O=[N+]([O-])c1ccc(-c2noc([N-]Cc3[nH+]ccn3CCCc3ccccc3)n2)cc1 ZINC000487087687 902052590 /nfs/dbraw/zinc/05/25/90/902052590.db2.gz PBYNOLCKZLBTCO-UHFFFAOYSA-N 0 1 404.430 4.086 20 5 HIBDMN CCN(Cc1cccc(-c2ccncc2)c1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000487976361 902500407 /nfs/dbraw/zinc/50/04/07/902500407.db2.gz GSYCWYAJVYDTBL-UHFFFAOYSA-N 0 1 401.426 4.195 20 5 HIBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)n[nH]1 ZINC000489190095 903250360 /nfs/dbraw/zinc/25/03/60/903250360.db2.gz SHPUUGRCKZGAQF-LSDHHAIUSA-N 0 1 422.489 4.330 20 5 HIBDMN CCOc1cc(C(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)c([N+](=O)[O-])cc1OC ZINC000490314678 903895811 /nfs/dbraw/zinc/89/58/11/903895811.db2.gz IATMVHLWSQOJNI-UHFFFAOYSA-N 0 1 424.335 4.150 20 5 HIBDMN CN(C)C(=O)C1CCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000506102111 914804316 /nfs/dbraw/zinc/80/43/16/914804316.db2.gz XDDZUJMRRSMGMG-UHFFFAOYSA-N 0 1 417.893 4.341 20 5 HIBDMN Cc1ccc([C@H](CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)N2CCOCC2)o1 ZINC000491421910 904588027 /nfs/dbraw/zinc/58/80/27/904588027.db2.gz FUFUEBDVGWRFJS-LADGPHEKSA-N 0 1 421.497 4.249 20 5 HIBDMN CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)Cc1ccccc1N1CCOCC1 ZINC000506149020 914825330 /nfs/dbraw/zinc/82/53/30/914825330.db2.gz VRDRMLGMCQDFHG-UHFFFAOYSA-N 0 1 407.470 4.323 20 5 HIBDMN CCOc1cc(CN[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)ccc1[N+](=O)[O-] ZINC000492752704 904897573 /nfs/dbraw/zinc/89/75/73/904897573.db2.gz XEXVJYPAWCYBRS-MRXNPFEDSA-N 0 1 420.469 4.492 20 5 HIBDMN O=[N+]([O-])c1cccc([C@@H](NCCNc2nccc(C(F)(F)F)n2)c2ccccc2)c1 ZINC000493152141 905034561 /nfs/dbraw/zinc/03/45/61/905034561.db2.gz RPNFOQQVVJBTGE-SFHVURJKSA-N 0 1 417.391 4.195 20 5 HIBDMN CCCC(=O)NC[C@H]1CCCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000512408118 921141389 /nfs/dbraw/zinc/14/13/89/921141389.db2.gz ASWPSZQLYBTBDG-HXUWFJFHSA-N 0 1 424.545 4.491 20 5 HIBDMN C[C@H]1[C@@H](NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000494069340 905406065 /nfs/dbraw/zinc/40/60/65/905406065.db2.gz OJQWDYQQXQKNKW-UWJYYQICSA-N 0 1 416.481 4.050 20 5 HIBDMN Cc1ccc(NC(=O)NC[C@@H]2CCCN(C/C=C\c3ccccc3[N+](=O)[O-])C2)cc1 ZINC000512428055 921155494 /nfs/dbraw/zinc/15/54/94/921155494.db2.gz OWFXKGVUHBSNLX-ZXYDQQDNSA-N 0 1 408.502 4.450 20 5 HIBDMN C[C@@H](CCCC(F)(F)F)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000494368280 905666438 /nfs/dbraw/zinc/66/64/38/905666438.db2.gz KVSIVVHELLGAAU-ZETCQYMHSA-N 0 1 409.213 4.301 20 5 HIBDMN C[C@H](N[C@H]1CCO[C@H]1c1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000494464019 905747041 /nfs/dbraw/zinc/74/70/41/905747041.db2.gz IHRYQGRNPYTOHI-NBHSMZAVSA-N 0 1 424.284 4.348 20 5 HIBDMN CC(C)CN1Cc2cccc(NC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)c2C1 ZINC000494480606 905761803 /nfs/dbraw/zinc/76/18/03/905761803.db2.gz WOVWSENXGPVAIT-UHFFFAOYSA-N 0 1 405.458 4.004 20 5 HIBDMN O=C(Nc1nnc(C(F)(F)F)s1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000495118719 906251506 /nfs/dbraw/zinc/25/15/06/906251506.db2.gz CUQOGDJDOPXETL-UHFFFAOYSA-N 0 1 424.360 4.296 20 5 HIBDMN COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Nc2ccccc2)cc1F ZINC000512594256 921253063 /nfs/dbraw/zinc/25/30/63/921253063.db2.gz WLGLZZLMGUMLNW-UHFFFAOYSA-N 0 1 417.418 4.287 20 5 HIBDMN CCCN(CCC)C(=O)c1ccc(NCc2cc(OC)c(O)c([N+](=O)[O-])c2)cc1 ZINC000512632807 921268412 /nfs/dbraw/zinc/26/84/12/921268412.db2.gz HOPXFIUVTCBSGN-UHFFFAOYSA-N 0 1 401.463 4.183 20 5 HIBDMN O=C(CNCc1ccc(-c2ccccc2[N+](=O)[O-])s1)N[C@@H]1CCOc2ccccc21 ZINC000500463745 909872968 /nfs/dbraw/zinc/87/29/68/909872968.db2.gz UVCTUPVNUKCJDL-GOSISDBHSA-N 0 1 423.494 4.053 20 5 HIBDMN COc1cc(CN2CCC[C@@H](n3cccn3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000513153751 921587616 /nfs/dbraw/zinc/58/76/16/921587616.db2.gz LMEWBNRASGDBNI-OAQYLSRUSA-N 0 1 422.485 4.216 20 5 HIBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000502329053 911306822 /nfs/dbraw/zinc/30/68/22/911306822.db2.gz DBFGPZHRAHTOBE-MAUKXSAKSA-N 0 1 411.506 4.387 20 5 HIBDMN COc1ccc([C@H]2CCCN2Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000506706812 915383852 /nfs/dbraw/zinc/38/38/52/915383852.db2.gz IBYHVAKWDKPIMX-OAQYLSRUSA-N 0 1 422.485 4.350 20 5 HIBDMN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ncc(C(F)(F)F)[nH]3)cc2[N+](=O)[O-])C1 ZINC000507021761 915827794 /nfs/dbraw/zinc/82/77/94/915827794.db2.gz KYTZSUYATPDUCB-GHMZBOCLSA-N 0 1 411.384 4.071 20 5 HIBDMN Cn1cc(CN2CCC[C@H]2c2ccc3c(c2)OCO3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000513434850 921803840 /nfs/dbraw/zinc/80/38/40/921803840.db2.gz NHRUUXOIHJVUNK-IBGZPJMESA-N 0 1 406.442 4.061 20 5 HIBDMN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CCCc1cc(-c2ccccc2)no1 ZINC000507182301 915928796 /nfs/dbraw/zinc/92/87/96/915928796.db2.gz UKDRKKHTRFODOV-INIZCTEOSA-N 0 1 408.458 4.141 20 5 HIBDMN Cc1cc(CCN[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)on1 ZINC000507245319 916005884 /nfs/dbraw/zinc/00/58/84/916005884.db2.gz YNZOZROIGVGBGS-LJQANCHMSA-N 0 1 414.849 4.057 20 5 HIBDMN O=C(c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])N1CCN2CCC1CC2 ZINC000507859451 916692114 /nfs/dbraw/zinc/69/21/14/916692114.db2.gz MEEVMSSNAJDYRB-UHFFFAOYSA-N 0 1 417.918 4.320 20 5 HIBDMN COCCn1cc2c(n1)[C@H](NCc1ccc(-c3ccccc3[N+](=O)[O-])s1)CCC2 ZINC000507920054 916800349 /nfs/dbraw/zinc/80/03/49/916800349.db2.gz QJRYBWWIEYVXIE-GOSISDBHSA-N 0 1 412.515 4.333 20 5 HIBDMN C[C@@H](NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C(=O)NCc1ccccc1 ZINC000507949622 916812167 /nfs/dbraw/zinc/81/21/67/916812167.db2.gz MFCYARMPBZDOJH-MRXNPFEDSA-N 0 1 423.444 4.321 20 5 HIBDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)c4ccc(NC5CC5)c([N+](=O)[O-])c4)C3)[nH]c2c1 ZINC000508256011 917075261 /nfs/dbraw/zinc/07/52/61/917075261.db2.gz UFQRWOGEHDJLBO-MRXNPFEDSA-N 0 1 419.485 4.374 20 5 HIBDMN CCCN(C(=O)c1cc([N+](=O)[O-])c(C)s1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000508454613 917238622 /nfs/dbraw/zinc/23/86/22/917238622.db2.gz ILSBWEMOMFFIDY-SFHVURJKSA-N 0 1 401.532 4.482 20 5 HIBDMN O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000509355348 918018826 /nfs/dbraw/zinc/01/88/26/918018826.db2.gz CHQBWPCQJSEBLN-UYZDIKGJSA-N 0 1 400.866 4.007 20 5 HIBDMN O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000509355349 918019756 /nfs/dbraw/zinc/01/97/56/918019756.db2.gz CHQBWPCQJSEBLN-WUTVXBCWSA-N 0 1 400.866 4.007 20 5 HIBDMN CN(Cc1cc(Br)cs1)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000509419094 918079575 /nfs/dbraw/zinc/07/95/75/918079575.db2.gz MMHXITPIRGROOZ-UHFFFAOYSA-N 0 1 421.320 4.451 20 5 HIBDMN Cc1nc([C@@H]2CCCCN2c2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])n[nH]1 ZINC000509520565 918168929 /nfs/dbraw/zinc/16/89/29/918168929.db2.gz DHKNQJCROOWVSA-IBGZPJMESA-N 0 1 420.473 4.314 20 5 HIBDMN CCN(CC)[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000509676482 918307560 /nfs/dbraw/zinc/30/75/60/918307560.db2.gz VCQLGJDTTHAAIR-GOSISDBHSA-N 0 1 409.408 4.313 20 5 HIBDMN Cc1ccc([C@H](CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)N2CCCC2)o1 ZINC000509730607 918353850 /nfs/dbraw/zinc/35/38/50/918353850.db2.gz SYJPABAEFVXUMF-FQEVSTJZSA-N 0 1 414.506 4.253 20 5 HIBDMN CCN(CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1)c1ccccc1Cl ZINC000511547465 920177098 /nfs/dbraw/zinc/17/70/98/920177098.db2.gz OTXQLFWCMPWCJQ-GOSISDBHSA-N 0 1 405.882 4.070 20 5 HIBDMN O=C(CN[C@H](c1cccc(OC(F)(F)F)c1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000511559253 920199659 /nfs/dbraw/zinc/19/96/59/920199659.db2.gz YXMKROSPBUOSHT-SFHVURJKSA-N 0 1 409.364 4.173 20 5 HIBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3[nH]c(-c4cccc(F)c4)nc3c2)cc1 ZINC000511740211 920413454 /nfs/dbraw/zinc/41/34/54/920413454.db2.gz UWGTZIPKHWJHEQ-UHFFFAOYSA-N 0 1 412.402 4.078 20 5 HIBDMN O=C(NC1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1)c1ccsc1 ZINC000511765403 920448950 /nfs/dbraw/zinc/44/89/50/920448950.db2.gz PYFLVBGDBQPYCG-UHFFFAOYSA-N 0 1 411.483 4.311 20 5 HIBDMN COc1ccc(CNCc2cnn(-c3ccc(C(F)(F)F)cc3)c2)cc1[N+](=O)[O-] ZINC000512087643 920851634 /nfs/dbraw/zinc/85/16/34/920851634.db2.gz KFQMLCUAEVJZSJ-UHFFFAOYSA-N 0 1 406.364 4.098 20 5 HIBDMN Cc1nc([C@H]2CCCCN2C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)n[nH]1 ZINC000513921222 922244106 /nfs/dbraw/zinc/24/41/06/922244106.db2.gz YUAYLPSACXHZQR-LJQANCHMSA-N 0 1 420.473 4.001 20 5 HIBDMN CNc1ccc(C(=O)Nc2ccccc2-c2nc(-c3ccccc3)n[nH]2)cc1[N+](=O)[O-] ZINC000516132832 923564539 /nfs/dbraw/zinc/56/45/39/923564539.db2.gz ZZSVREMUXBCUSG-UHFFFAOYSA-N 0 1 414.425 4.341 20 5 HIBDMN O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCN(CC2CC2)CC1 ZINC000516152600 923577332 /nfs/dbraw/zinc/57/73/32/923577332.db2.gz URABAKHNCSPEBL-UHFFFAOYSA-N 0 1 415.877 4.208 20 5 HIBDMN Cc1sc(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)cc1[N+](=O)[O-] ZINC000517353833 924127451 /nfs/dbraw/zinc/12/74/51/924127451.db2.gz WLZWAIBRLWUJFC-UHFFFAOYSA-N 0 1 407.923 4.260 20 5 HIBDMN C[C@@H](C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000562395381 945069222 /nfs/dbraw/zinc/06/92/22/945069222.db2.gz YVNCEBBDPGZQAD-QRWLVFNGSA-N 0 1 401.894 4.305 20 5 HIBDMN Cc1cc(Cl)ccc1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000518188993 927071875 /nfs/dbraw/zinc/07/18/75/927071875.db2.gz SSUWCLAWGXSHSJ-UHFFFAOYSA-N 0 1 405.657 4.120 20 5 HIBDMN COc1ccc(CNCc2cn(-c3ccccc3)nc2-c2cccnc2)cc1[N+](=O)[O-] ZINC000518275088 927132821 /nfs/dbraw/zinc/13/28/21/927132821.db2.gz ABAGGBJMORFWPX-UHFFFAOYSA-N 0 1 415.453 4.141 20 5 HIBDMN CC(C)(NCc1cc(I)cc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000518444987 927277761 /nfs/dbraw/zinc/27/77/61/927277761.db2.gz ZXNCSOHCRHYNSY-UHFFFAOYSA-N 0 1 414.218 4.363 20 5 HIBDMN C[N@@H+](Cc1ccccc1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000519892371 928126869 /nfs/dbraw/zinc/12/68/69/928126869.db2.gz ZXTIQJCJBYFWKN-UHFFFAOYSA-N 0 1 421.494 4.299 20 5 HIBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000520564587 928644818 /nfs/dbraw/zinc/64/48/18/928644818.db2.gz BKCDZIYSTISKOG-QGZVFWFLSA-N 0 1 413.522 4.080 20 5 HIBDMN CCOc1cccc2cc([C@H](C)N[C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)oc21 ZINC000520970532 928896164 /nfs/dbraw/zinc/89/61/64/928896164.db2.gz OUNYFIIBZHUZJO-KBXCAEBGSA-N 0 1 409.442 4.196 20 5 HIBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000527289448 930627816 /nfs/dbraw/zinc/62/78/16/930627816.db2.gz YYMFMKVDDGIXFG-VLIAUNLRSA-N 0 1 403.429 4.023 20 5 HIBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000530589667 930761331 /nfs/dbraw/zinc/76/13/31/930761331.db2.gz NVVVYFMKPQHMSR-UGSOOPFHSA-N 0 1 407.923 4.148 20 5 HIBDMN CCN(CC)S(=O)(=O)c1ccc([C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000531692067 931156089 /nfs/dbraw/zinc/15/60/89/931156089.db2.gz FJTMZMZYFLUXOC-IRXDYDNUSA-N 0 1 419.547 4.346 20 5 HIBDMN CC[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1OCC(=O)N1CCCC1 ZINC000532210157 931353425 /nfs/dbraw/zinc/35/34/25/931353425.db2.gz RISSVMAUHKESDM-DYESRHJHSA-N 0 1 411.502 4.398 20 5 HIBDMN CCCN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC(=O)Nc1ccccc1C ZINC000532469133 931449565 /nfs/dbraw/zinc/44/95/65/931449565.db2.gz QNRJEYFIXSWXKX-UHFFFAOYSA-N 0 1 422.485 4.451 20 5 HIBDMN COc1ccc(-c2ccc(CN[C@@H](C)c3ccc(-n4ccnn4)cc3)o2)c([N+](=O)[O-])c1 ZINC000533756634 932013456 /nfs/dbraw/zinc/01/34/56/932013456.db2.gz NFFGYYCHVYEPGO-HNNXBMFYSA-N 0 1 419.441 4.295 20 5 HIBDMN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cc1OC ZINC000533969877 932147303 /nfs/dbraw/zinc/14/73/03/932147303.db2.gz UWBKTQQPEKMCPN-UHFFFAOYSA-N 0 1 406.345 4.068 20 5 HIBDMN Cc1c(Br)cc(S(=O)(=O)Nc2cccc3ncccc32)cc1[N+](=O)[O-] ZINC000534205627 932331054 /nfs/dbraw/zinc/33/10/54/932331054.db2.gz OTTNBAKPIGPMIU-UHFFFAOYSA-N 0 1 422.260 4.015 20 5 HIBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534228268 932347552 /nfs/dbraw/zinc/34/75/52/932347552.db2.gz HMHKBGXPMWOZGO-LIRRHRJNSA-N 0 1 405.857 4.119 20 5 HIBDMN Cc1ccc2[nH]c([C@@H]3CCCN(Cc4nc(-c5cccc([N+](=O)[O-])c5)no4)C3)nc2c1 ZINC000534951369 932854804 /nfs/dbraw/zinc/85/48/04/932854804.db2.gz BEONOWMLYZCFCT-MRXNPFEDSA-N 0 1 418.457 4.209 20 5 HIBDMN Cc1ccc2nc([C@@H]3CCCN(Cc4nc(-c5cccc([N+](=O)[O-])c5)no4)C3)[nH]c2c1 ZINC000534951369 932854808 /nfs/dbraw/zinc/85/48/08/932854808.db2.gz BEONOWMLYZCFCT-MRXNPFEDSA-N 0 1 418.457 4.209 20 5 HIBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000535000044 932882676 /nfs/dbraw/zinc/88/26/76/932882676.db2.gz GGEVXAKKBYHAOE-KBXCAEBGSA-N 0 1 423.498 4.224 20 5 HIBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000535000044 932882678 /nfs/dbraw/zinc/88/26/78/932882678.db2.gz GGEVXAKKBYHAOE-KBXCAEBGSA-N 0 1 423.498 4.224 20 5 HIBDMN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)cc(Br)c1O ZINC000535418387 933126483 /nfs/dbraw/zinc/12/64/83/933126483.db2.gz BPKYGABKYHQOGN-UHFFFAOYSA-N 0 1 417.668 4.447 20 5 HIBDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)Cc4c[nH]c5ccc([N+](=O)[O-])cc45)C3)[nH]c2c1 ZINC000535473602 933164988 /nfs/dbraw/zinc/16/49/88/933164988.db2.gz CDNQPSPUNRPNMA-OAHLLOKOSA-N 0 1 417.469 4.210 20 5 HIBDMN Cc1ccc(Br)c(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000535614548 933269204 /nfs/dbraw/zinc/26/92/04/933269204.db2.gz AWFPQCXDVMDQAG-UHFFFAOYSA-N 0 1 405.657 4.120 20 5 HIBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000535727033 933368205 /nfs/dbraw/zinc/36/82/05/933368205.db2.gz VQQAWFIYKQFTEZ-KRWDZBQOSA-N 0 1 407.923 4.393 20 5 HIBDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)CCOc4cc(C)ccc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000537319938 933715541 /nfs/dbraw/zinc/71/55/41/933715541.db2.gz WNUNFEVTGIZYRE-QGZVFWFLSA-N 0 1 422.485 4.263 20 5 HIBDMN C[C@@H](N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000537346702 933728595 /nfs/dbraw/zinc/72/85/95/933728595.db2.gz BJQRRZUGIIXYBD-AUUYWEPGSA-N 0 1 421.419 4.455 20 5 HIBDMN Cc1ccc(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)cc1[N+](=O)[O-] ZINC000537560091 938323907 /nfs/dbraw/zinc/32/39/07/938323907.db2.gz BFRQWJLNVOMBCE-MRXNPFEDSA-N 0 1 412.494 4.481 20 5 HIBDMN C[C@@H](N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccncc2)cs1 ZINC000537968523 938439706 /nfs/dbraw/zinc/43/97/06/938439706.db2.gz KKTGJFJONJJJCE-UONOGXRCSA-N 0 1 411.487 4.181 20 5 HIBDMN CC[C@H](NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000537991298 938453320 /nfs/dbraw/zinc/45/33/20/938453320.db2.gz QWQXTBLURGEBLS-NRFANRHFSA-N 0 1 417.531 4.010 20 5 HIBDMN CCOc1cccc([C@@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000538175897 938536662 /nfs/dbraw/zinc/53/66/62/938536662.db2.gz FZAWXEPZZXQXNN-GFCCVEGCSA-N 0 1 422.279 4.045 20 5 HIBDMN Cc1occc1C(=O)NC1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000538740457 938698195 /nfs/dbraw/zinc/69/81/95/938698195.db2.gz PJFQTPHPAOCOOE-UHFFFAOYSA-N 0 1 409.442 4.151 20 5 HIBDMN COc1cc(CN2CCC[C@H](c3nc4c(s3)CCCC4)C2)c([N+](=O)[O-])cc1OC ZINC000538763017 938704860 /nfs/dbraw/zinc/70/48/60/938704860.db2.gz YUTKSYKKKFLHBX-AWEZNQCLSA-N 0 1 417.531 4.327 20 5 HIBDMN Cc1cc(S(=O)(=O)Nc2ccc(SCc3cccnc3)cc2)ccc1[N+](=O)[O-] ZINC000538851956 938725047 /nfs/dbraw/zinc/72/50/47/938725047.db2.gz KSQQZGXAPYHQNY-UHFFFAOYSA-N 0 1 415.496 4.391 20 5 HIBDMN COc1ccc(NC(=O)[C@H](C)N[C@H](C)c2ccc(-c3cccnc3)cc2)c([N+](=O)[O-])c1 ZINC000539333490 938843146 /nfs/dbraw/zinc/84/31/46/938843146.db2.gz CVLPVLKZZZOZGT-CVEARBPZSA-N 0 1 420.469 4.343 20 5 HIBDMN COc1cc(CN2CCC[C@H](c3nc4ccc(F)cc4o3)C2)c([N+](=O)[O-])cc1OC ZINC000539897197 938971051 /nfs/dbraw/zinc/97/10/51/938971051.db2.gz ZWXWOKATBFGTRT-ZDUSSCGKSA-N 0 1 415.421 4.272 20 5 HIBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](COc1ccccc1F)c1ccccc1 ZINC000540367597 939212808 /nfs/dbraw/zinc/21/28/08/939212808.db2.gz FJTAXSMYEBTCNK-OAQYLSRUSA-N 0 1 423.444 4.391 20 5 HIBDMN O=[N+]([O-])c1cccc([C@H](NCc2nc(-c3ccc(F)cc3)n[nH]2)c2ccccc2)c1 ZINC000540913633 939416341 /nfs/dbraw/zinc/41/63/41/939416341.db2.gz QAKNFMWNTJAGGE-OAQYLSRUSA-N 0 1 403.417 4.398 20 5 HIBDMN O=[N+]([O-])c1cccc([C@H](NCc2n[nH]c(-c3ccc(F)cc3)n2)c2ccccc2)c1 ZINC000540913633 939416343 /nfs/dbraw/zinc/41/63/43/939416343.db2.gz QAKNFMWNTJAGGE-OAQYLSRUSA-N 0 1 403.417 4.398 20 5 HIBDMN CC[C@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1nc(C(F)(F)F)cs1 ZINC000541630903 939576561 /nfs/dbraw/zinc/57/65/61/939576561.db2.gz IIWIVWSWIDTPBD-LBPRGKRZSA-N 0 1 416.425 4.448 20 5 HIBDMN CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541695998 939607370 /nfs/dbraw/zinc/60/73/70/939607370.db2.gz JHPPYLCHVHJMCM-DNVCBOLYSA-N 0 1 421.856 4.178 20 5 HIBDMN Cc1ccc(CNC(=O)c2cccc(CNCc3ccc([N+](=O)[O-])cc3C)c2)cc1 ZINC000541772031 939626905 /nfs/dbraw/zinc/62/69/05/939626905.db2.gz UUKFVDVMRCJIPQ-UHFFFAOYSA-N 0 1 403.482 4.431 20 5 HIBDMN CC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc1Cl ZINC000542092575 939708028 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Cc1csc(Sc2ccc(C(=O)Nc3n[nH]c(C4CCC4)n3)cc2[N+](=O)[O-])n1 ZINC000545445223 940570194 /nfs/dbraw/zinc/57/01/94/940570194.db2.gz UIRVWCLILKEFKO-UHFFFAOYSA-N 0 1 416.488 4.149 20 5 HIBDMN CC[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1cc(F)cc(Br)c1 ZINC000547947690 941080059 /nfs/dbraw/zinc/08/00/59/941080059.db2.gz OZTSVMQKXLFNGZ-AWEZNQCLSA-N 0 1 410.243 4.176 20 5 HIBDMN Cn1cc(CNCc2csc(Br)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000549178962 941168813 /nfs/dbraw/zinc/16/88/13/941168813.db2.gz MTQUJZNBBLPVHA-UHFFFAOYSA-N 0 1 407.293 4.109 20 5 HIBDMN COc1ccc2c(c1)CCC[C@H]2CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000552067631 941578365 /nfs/dbraw/zinc/57/83/65/941578365.db2.gz SABQPIFUQKIKLI-AVRDEDQJSA-N 0 1 406.486 4.136 20 5 HIBDMN O=[N+]([O-])c1cc2c(ncnc2NC2CCN(Cc3ccc(Cl)cc3)CC2)s1 ZINC000553248542 941856393 /nfs/dbraw/zinc/85/63/93/941856393.db2.gz ZUGAAVYOHOAXIV-UHFFFAOYSA-N 0 1 403.895 4.329 20 5 HIBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000557522337 943189958 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404.898 4.085 20 5 HIBDMN COc1cc(CNC[C@H]2CC[C@H](c3ccccc3)O2)c([N+](=O)[O-])cc1OCC(F)F ZINC000574558109 948472024 /nfs/dbraw/zinc/47/20/24/948472024.db2.gz ALAAYHGUISUIJV-SJLPKXTDSA-N 0 1 422.428 4.257 20 5 HIBDMN C[C@@H](C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000574743583 948519528 /nfs/dbraw/zinc/51/95/28/948519528.db2.gz IHGKUAHJZNPIPO-FOIQADDNSA-N 0 1 401.894 4.305 20 5 HIBDMN Cc1nc(CN2CCCC23CCN(c2nc(Cl)cc(C)c2[N+](=O)[O-])CC3)cs1 ZINC001164694085 719806626 /nfs/dbraw/zinc/80/66/26/719806626.db2.gz UOTCKLMRUCLPNT-UHFFFAOYSA-N 0 1 421.954 4.352 20 5 HIBDMN O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CC[C@@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164728287 720479992 /nfs/dbraw/zinc/47/99/92/720479992.db2.gz OYIYTEHZTCXLCX-QZTJIDSGSA-N 0 1 409.877 4.045 20 5 HIBDMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000007492067 845344793 /nfs/dbraw/zinc/34/47/93/845344793.db2.gz MYXPMQIQMWAPKW-UHFFFAOYSA-N 0 1 408.285 4.296 20 5 HIBDMN O=C(CSc1n[nH]c(CCC2CCCC2)n1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000012104496 845854230 /nfs/dbraw/zinc/85/42/30/845854230.db2.gz HHWRSXQCYWLATH-UHFFFAOYSA-N 0 1 409.899 4.220 20 5 HIBDMN O=C(CSc1nc(CCC2CCCC2)n[nH]1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000012104496 845854232 /nfs/dbraw/zinc/85/42/32/845854232.db2.gz HHWRSXQCYWLATH-UHFFFAOYSA-N 0 1 409.899 4.220 20 5 HIBDMN COc1ccc(NC(=O)[C@H](C)Sc2nc3ccc(Cl)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000016827646 846214766 /nfs/dbraw/zinc/21/47/66/846214766.db2.gz VKCCQZXSFDIFKE-VIFPVBQESA-N 0 1 406.851 4.252 20 5 HIBDMN CN(CCC(=O)N[C@@H](c1cccs1)c1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000026349434 847131133 /nfs/dbraw/zinc/13/11/33/847131133.db2.gz FOTUJWPXNFSLAH-JOCHJYFZSA-N 0 1 409.511 4.384 20 5 HIBDMN O=[N+]([O-])c1cccc(-c2nc(CNC[C@]3(O)CCC[C@@H](C(F)(F)F)C3)cs2)c1 ZINC000436410740 861761340 /nfs/dbraw/zinc/76/13/40/861761340.db2.gz LANSDUXKTLYJAD-DYVFJYSZSA-N 0 1 415.437 4.292 20 5 HIBDMN CC[C@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000029909781 847647862 /nfs/dbraw/zinc/64/78/62/847647862.db2.gz NAXHKGRLIPXNMR-QFBILLFUSA-N 0 1 413.543 4.029 20 5 HIBDMN COc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Br ZINC000030509838 847724546 /nfs/dbraw/zinc/72/45/46/847724546.db2.gz ATOKTWQHGDPDBW-RYUDHWBXSA-N 0 1 422.279 4.044 20 5 HIBDMN Cc1c(NC(=O)[C@@H](C)NCc2cccc(COCc3ccco3)c2)cccc1[N+](=O)[O-] ZINC000030511605 847725846 /nfs/dbraw/zinc/72/58/46/847725846.db2.gz QTTPWTPHSOWPDF-QGZVFWFLSA-N 0 1 423.469 4.330 20 5 HIBDMN COc1ccc(NC(=O)CCN(C)Cc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000031053760 847815193 /nfs/dbraw/zinc/81/51/93/847815193.db2.gz LEECGDJOEHYSAO-UHFFFAOYSA-N 0 1 412.273 4.371 20 5 HIBDMN CCOc1ccc2nc(SCCC(=O)Nc3ccc([N+](=O)[O-])cc3C)[nH]c2c1 ZINC000031308545 847861105 /nfs/dbraw/zinc/86/11/05/847861105.db2.gz PCYBSFHUYYMAEV-UHFFFAOYSA-N 0 1 400.460 4.299 20 5 HIBDMN O=[N+]([O-])c1cccc(-c2noc(CSc3nc(-c4ccc(Cl)cc4)n[nH]3)n2)c1 ZINC000031843318 847958137 /nfs/dbraw/zinc/95/81/37/847958137.db2.gz RWGKXPPMVLNHQC-UHFFFAOYSA-N 0 1 414.834 4.376 20 5 HIBDMN CCC(=O)c1ccc(O)c(NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)c1 ZINC000436643958 861880197 /nfs/dbraw/zinc/88/01/97/861880197.db2.gz GXESEFMMRDZUQN-AWEZNQCLSA-N 0 1 411.458 4.382 20 5 HIBDMN CCC(=O)c1ccc(O)c(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c1 ZINC000436643719 861880441 /nfs/dbraw/zinc/88/04/41/861880441.db2.gz FWPBQKHZDSZIQN-UHFFFAOYSA-N 0 1 407.220 4.216 20 5 HIBDMN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000043307170 848407362 /nfs/dbraw/zinc/40/73/62/848407362.db2.gz PPLIYNMRJPNYHB-HXUWFJFHSA-N 0 1 416.909 4.227 20 5 HIBDMN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000043307169 848407526 /nfs/dbraw/zinc/40/75/26/848407526.db2.gz PPLIYNMRJPNYHB-FQEVSTJZSA-N 0 1 416.909 4.227 20 5 HIBDMN CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133552 849435932 /nfs/dbraw/zinc/43/59/32/849435932.db2.gz PGXWCHJGIYSUNC-WIYYLYMNSA-N 0 1 408.458 4.245 20 5 HIBDMN COc1ccc(CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H](C)C2CC2)cc1 ZINC000052867096 849636045 /nfs/dbraw/zinc/63/60/45/849636045.db2.gz SKUNCUVWKTYMOM-HNNXBMFYSA-N 0 1 408.458 4.454 20 5 HIBDMN CN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000437013480 862191920 /nfs/dbraw/zinc/19/19/20/862191920.db2.gz QRXLTHLEIHLENG-GOSISDBHSA-N 0 1 421.419 4.350 20 5 HIBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc3nc(C4CC4)sc3c2)c1C ZINC000063879394 851784026 /nfs/dbraw/zinc/78/40/26/851784026.db2.gz MWLSVPCLPQZSJG-UHFFFAOYSA-N 0 1 403.485 4.500 20 5 HIBDMN CCc1cc(NC2CCN(Cc3ccccn3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064914602 852019545 /nfs/dbraw/zinc/01/95/45/852019545.db2.gz YUKAVIDLXOAAJM-UHFFFAOYSA-N 0 1 418.501 4.086 20 5 HIBDMN CCN(CC)[C@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccco1 ZINC000065126710 852074223 /nfs/dbraw/zinc/07/42/23/852074223.db2.gz YKMMPZOFSBLZQW-QGZVFWFLSA-N 0 1 414.487 4.124 20 5 HIBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)n2)cc1 ZINC000065308663 852103739 /nfs/dbraw/zinc/10/37/39/852103739.db2.gz JHQJWZMRYYMOSE-UHFFFAOYSA-N 0 1 406.427 4.064 20 5 HIBDMN O=C(OCc1cccc([N+](=O)[O-])c1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000110102597 853059934 /nfs/dbraw/zinc/05/99/34/853059934.db2.gz LDPLCOGPYLEZOM-IBGZPJMESA-N 0 1 408.376 4.093 20 5 HIBDMN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)c1 ZINC000116505288 853310408 /nfs/dbraw/zinc/31/04/08/853310408.db2.gz AYVWBDXLWAPYHU-UHFFFAOYSA-N 0 1 423.498 4.122 20 5 HIBDMN C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCN1Cc1ccccc1 ZINC000437244950 862461103 /nfs/dbraw/zinc/46/11/03/862461103.db2.gz IAJCXLMNPSOSBD-HNNXBMFYSA-N 0 1 421.419 4.350 20 5 HIBDMN COc1ccc(C)cc1NC(=O)[C@H](NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000140105996 853434503 /nfs/dbraw/zinc/43/45/03/853434503.db2.gz YNJKRPFAQWIPSL-HSZRJFAPSA-N 0 1 419.481 4.424 20 5 HIBDMN CCOc1ccc([N+](=O)[O-])cc1CNCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000236846845 853928767 /nfs/dbraw/zinc/92/87/67/853928767.db2.gz IDMQNTMBHZLTLE-UHFFFAOYSA-N 0 1 402.838 4.029 20 5 HIBDMN COc1ccc(CN[C@@H](C)c2cn(C)nc2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237141324 853971540 /nfs/dbraw/zinc/97/15/40/853971540.db2.gz CINOMQAZALZBHC-HNNXBMFYSA-N 0 1 410.474 4.075 20 5 HIBDMN COc1ccc(-c2ccc(CNCc3ccccc3-n3ccnc3)o2)c([N+](=O)[O-])c1 ZINC000237418349 854028456 /nfs/dbraw/zinc/02/84/56/854028456.db2.gz ILDZPWQVTIDCOY-UHFFFAOYSA-N 0 1 404.426 4.339 20 5 HIBDMN C[C@H](NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)NC(C)(C)C ZINC000237555556 854053225 /nfs/dbraw/zinc/05/32/25/854053225.db2.gz GYSWLXCKRJMVAT-ZDUSSCGKSA-N 0 1 405.882 4.433 20 5 HIBDMN O=C(NCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1cccs1 ZINC000237815686 854102343 /nfs/dbraw/zinc/10/23/43/854102343.db2.gz BWGLVCNZYAYJIA-UHFFFAOYSA-N 0 1 405.863 4.089 20 5 HIBDMN Cc1ccc(NC(=O)C2CCN(c3cc(C)nc4ccc([N+](=O)[O-])cc43)CC2)nc1 ZINC000302132865 854535085 /nfs/dbraw/zinc/53/50/85/854535085.db2.gz CJWPUSNXLFZYKC-UHFFFAOYSA-N 0 1 405.458 4.010 20 5 HIBDMN Cc1cc(N2CCC(C(=O)N3CCc4ccccc43)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302187269 854546210 /nfs/dbraw/zinc/54/62/10/854546210.db2.gz PWVUFPQCHDJOBY-UHFFFAOYSA-N 0 1 416.481 4.257 20 5 HIBDMN CCc1nc(C2CCN(c3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])CC2)n[nH]1 ZINC000302698432 854607009 /nfs/dbraw/zinc/60/70/09/854607009.db2.gz HEZXQEDVCYLWRJ-UHFFFAOYSA-N 0 1 403.792 4.332 20 5 HIBDMN CCc1nnc(C2CCN(c3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])CC2)[nH]1 ZINC000302698432 854607016 /nfs/dbraw/zinc/60/70/16/854607016.db2.gz HEZXQEDVCYLWRJ-UHFFFAOYSA-N 0 1 403.792 4.332 20 5 HIBDMN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)cc1Br ZINC000410355255 855945823 /nfs/dbraw/zinc/94/58/23/855945823.db2.gz QKVXRIFPTPQLTQ-UHFFFAOYSA-N 0 1 405.657 4.120 20 5 HIBDMN C[C@@H]1C[N@H+](C2CCOCC2)CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000426545803 856343050 /nfs/dbraw/zinc/34/30/50/856343050.db2.gz RZXBKECBKUSJBV-OAHLLOKOSA-N 0 1 419.909 4.193 20 5 HIBDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000427505634 856844259 /nfs/dbraw/zinc/84/42/59/856844259.db2.gz OGLDEHPCILSYNH-CQSZACIVSA-N 0 1 412.833 4.051 20 5 HIBDMN CN(Cc1cc(Br)ccc1Cl)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000427800552 856961020 /nfs/dbraw/zinc/96/10/20/856961020.db2.gz SJTGBNQMPGRWRT-UHFFFAOYSA-N 0 1 423.654 4.159 20 5 HIBDMN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1 ZINC000427810593 856965249 /nfs/dbraw/zinc/96/52/49/856965249.db2.gz GDQHPQBOYRQIHZ-UHFFFAOYSA-N 0 1 415.409 4.308 20 5 HIBDMN Cc1cc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)nc(N2CCCC2)n1 ZINC000430135368 858048896 /nfs/dbraw/zinc/04/88/96/858048896.db2.gz FXMACRWFCKTKQU-UHFFFAOYSA-N 0 1 409.515 4.312 20 5 HIBDMN C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000430769525 858297746 /nfs/dbraw/zinc/29/77/46/858297746.db2.gz WCJHESZNLBTAEF-ZOCZFRKYSA-N 0 1 402.516 4.482 20 5 HIBDMN Cc1cc(OCC(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000430833071 858322770 /nfs/dbraw/zinc/32/27/70/858322770.db2.gz LYBDBHFYXHTBDP-SFHVURJKSA-N 0 1 414.849 4.175 20 5 HIBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000439440879 864833030 /nfs/dbraw/zinc/83/30/30/864833030.db2.gz RBWQBYVEFMQFQH-SJCJKPOMSA-N 0 1 405.380 4.480 20 5 HIBDMN COc1cccc(NC(=O)[C@H](NCCc2ccccc2[N+](=O)[O-])c2ccccc2)c1 ZINC000467970578 881827944 /nfs/dbraw/zinc/82/79/44/881827944.db2.gz QMEWKZRTRIFRAH-JOCHJYFZSA-N 0 1 405.454 4.116 20 5 HIBDMN C[C@@H](c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1)N1[C@H](C)CC[C@H]1C ZINC000443221779 867880598 /nfs/dbraw/zinc/88/05/98/867880598.db2.gz HHIQKJISSGUATO-UTUOFQBUSA-N 0 1 409.284 4.265 20 5 HIBDMN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000443890395 868428265 /nfs/dbraw/zinc/42/82/65/868428265.db2.gz AAJWQHPHLBKKPX-HNNXBMFYSA-N 0 1 421.419 4.350 20 5 HIBDMN O=[N+]([O-])c1ccc2[nH]c(CNC3(c4ccc(Br)cc4)CCC3)nc2c1 ZINC000444653364 868932866 /nfs/dbraw/zinc/93/28/66/868932866.db2.gz WBLJHOXAWUCEOH-UHFFFAOYSA-N 0 1 401.264 4.403 20 5 HIBDMN C[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(OCc2ccccc2)c1 ZINC000444700857 868964161 /nfs/dbraw/zinc/96/41/61/868964161.db2.gz GECJSCFNTNSHCB-INIZCTEOSA-N 0 1 405.454 4.124 20 5 HIBDMN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCc2csc(CCc3ccccc3)n2)n1 ZINC000447589088 871494530 /nfs/dbraw/zinc/49/45/30/871494530.db2.gz WWHDNKMMKYYAEP-RBUKOAKNSA-N 0 1 411.531 4.307 20 5 HIBDMN C[C@H]1OCC[C@]12CN(Cc1ccc(-c3ccc([N+](=O)[O-])cc3Cl)o1)C[C@@H](C)O2 ZINC000448357149 872304361 /nfs/dbraw/zinc/30/43/61/872304361.db2.gz VVQVZWYJWKWQOU-JZKQVHKSSA-N 0 1 406.866 4.277 20 5 HIBDMN Cc1cc(S(=O)(=O)Nc2cccc3c2CN([C@@H](C)C(C)C)C3)ccc1[N+](=O)[O-] ZINC000462352444 875466816 /nfs/dbraw/zinc/46/68/16/875466816.db2.gz NJQDWFYPLHGXJI-HNNXBMFYSA-N 0 1 403.504 4.064 20 5 HIBDMN Cc1c(CN[C@@H](C)c2ccc(Br)cc2OCCCO)cccc1[N+](=O)[O-] ZINC000463363113 876418212 /nfs/dbraw/zinc/41/82/12/876418212.db2.gz WHKFKRNIYCKVKR-AWEZNQCLSA-N 0 1 423.307 4.278 20 5 HIBDMN COc1cc(CN(C)CC[C@H]2CCCO2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000467390017 881171319 /nfs/dbraw/zinc/17/13/19/881171319.db2.gz UBYVVPBYTQNDAA-LJQANCHMSA-N 0 1 400.475 4.183 20 5 HIBDMN COc1ccc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c(C(F)(F)F)c1 ZINC000467423215 881212448 /nfs/dbraw/zinc/21/24/48/881212448.db2.gz AALYISCVVZOMIQ-UHFFFAOYSA-N 0 1 404.366 4.040 20 5 HIBDMN CN(C)[C@@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000470597681 885021973 /nfs/dbraw/zinc/02/19/73/885021973.db2.gz BSIKMHNNHIAXBG-HNNXBMFYSA-N 0 1 415.799 4.300 20 5 HIBDMN COc1cccc(C=C2CCN(CCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)CC2)c1 ZINC000473024908 887850123 /nfs/dbraw/zinc/85/01/23/887850123.db2.gz UQBKMBHZPPRWIP-UHFFFAOYSA-N 0 1 423.469 4.081 20 5 HIBDMN Cc1c(NC(=O)CCN2CC=C(c3c(F)cccc3F)CC2)cccc1[N+](=O)[O-] ZINC000473156964 887936063 /nfs/dbraw/zinc/93/60/63/887936063.db2.gz DVSKAJOTBZVWOI-UHFFFAOYSA-N 0 1 401.413 4.299 20 5 HIBDMN CC(C)c1[nH]nc(C(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)c1[N+](=O)[O-] ZINC000473386159 888100051 /nfs/dbraw/zinc/10/00/51/888100051.db2.gz HMSXRHBXVPMGMB-UHFFFAOYSA-N 0 1 410.818 4.005 20 5 HIBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(Cl)cc1Br ZINC000473427129 888147308 /nfs/dbraw/zinc/14/73/08/888147308.db2.gz LPQKBTWDAFLGSU-UHFFFAOYSA-N 0 1 422.626 4.048 20 5 HIBDMN COC(=O)COc1ccc(CN[C@@H](c2ccccc2Cl)C(C)C)cc1[N+](=O)[O-] ZINC000474350185 889228172 /nfs/dbraw/zinc/22/81/72/889228172.db2.gz BGBSLZDUADVVSY-HXUWFJFHSA-N 0 1 406.866 4.287 20 5 HIBDMN C[C@@H]1CN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[C@]2(CCOC2)O1 ZINC000475627344 890564801 /nfs/dbraw/zinc/56/48/01/890564801.db2.gz QVNXCLAKLQMCQL-VFNWGFHPSA-N 0 1 418.877 4.420 20 5 HIBDMN COc1ccc(NC(=O)[C@H](C)N[C@H](C)c2cc3cccc(F)c3o2)c([N+](=O)[O-])c1 ZINC000475692098 890631603 /nfs/dbraw/zinc/63/16/03/890631603.db2.gz GAXMBMUZTROJRE-NEPJUHHUSA-N 0 1 401.394 4.167 20 5 HIBDMN COC(=O)COc1ccc(CN2CCCCC[C@H]2c2ccc(C)o2)cc1[N+](=O)[O-] ZINC000475711178 890649902 /nfs/dbraw/zinc/64/99/02/890649902.db2.gz VDZXZIDLTQTESK-KRWDZBQOSA-N 0 1 402.447 4.165 20 5 HIBDMN Cc1nnc(Sc2ccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)c(C)c2)s1 ZINC000475916200 890843233 /nfs/dbraw/zinc/84/32/33/890843233.db2.gz FVNOIYYSQOQUGZ-UHFFFAOYSA-N 0 1 402.457 4.172 20 5 HIBDMN CCOc1ccc([C@@H](C)N[C@@H](CN2CCOCC2)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000504911312 913644719 /nfs/dbraw/zinc/64/47/19/913644719.db2.gz DPLRCILOLNPMGE-NQIIRXRSSA-N 0 1 413.518 4.026 20 5 HIBDMN CC(C)c1nc([C@@H](C)NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)n[nH]1 ZINC000477312845 892276066 /nfs/dbraw/zinc/27/60/66/892276066.db2.gz YTJDLBNUYCZBQQ-CYBMUJFWSA-N 0 1 411.487 4.479 20 5 HIBDMN O=C(CN1CCCCCC1)Nc1cccc(NCc2ccc([N+](=O)[O-])cc2F)c1 ZINC000478197647 893358626 /nfs/dbraw/zinc/35/86/26/893358626.db2.gz NUCXTEIDYSKCLI-UHFFFAOYSA-N 0 1 400.454 4.161 20 5 HIBDMN O=[N+]([O-])c1ccc(CN[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)c(F)c1 ZINC000478248234 893420173 /nfs/dbraw/zinc/42/01/73/893420173.db2.gz AUWPOCNSGSWQCG-GFCCVEGCSA-N 0 1 418.778 4.170 20 5 HIBDMN COc1cc(C(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)cc([N+](=O)[O-])c1C ZINC000478584304 893860742 /nfs/dbraw/zinc/86/07/42/893860742.db2.gz VVCOYHZSKFWBNM-JOCHJYFZSA-N 0 1 416.437 4.308 20 5 HIBDMN CCC(=O)c1ccc(Sc2nc(-c3ccc(OC)cc3OC)n[nH]2)c([N+](=O)[O-])c1 ZINC000479966948 895321650 /nfs/dbraw/zinc/32/16/50/895321650.db2.gz SAEAYKJKCISSKX-UHFFFAOYSA-N 0 1 414.443 4.141 20 5 HIBDMN Cc1ccc([C@@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c2ccccn2)cc1 ZINC000480631651 896000319 /nfs/dbraw/zinc/00/03/19/896000319.db2.gz RWNVGNADJCPUAI-GOSISDBHSA-N 0 1 417.874 4.020 20 5 HIBDMN CCC[C@@H](NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1)c1cccc([N+](=O)[O-])c1 ZINC000481551123 896918409 /nfs/dbraw/zinc/91/84/09/896918409.db2.gz XZZQNPYRSCEZKG-FCHUYYIVSA-N 0 1 411.502 4.135 20 5 HIBDMN Cc1cccc(CCN[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)n1 ZINC000481614798 896996061 /nfs/dbraw/zinc/99/60/61/896996061.db2.gz QVWDRVPFBNGSOS-NRFANRHFSA-N 0 1 424.888 4.464 20 5 HIBDMN O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl)c1n[nH]cc1[N+](=O)[O-] ZINC000481916993 897300854 /nfs/dbraw/zinc/30/08/54/897300854.db2.gz GQDZSMWIWWCEPP-CQSZACIVSA-N 0 1 409.833 4.015 20 5 HIBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cccc(OCc2cscn2)c1 ZINC000481970979 897362852 /nfs/dbraw/zinc/36/28/52/897362852.db2.gz BNGUOKFYVWOTMA-UHFFFAOYSA-N 0 1 419.484 4.048 20 5 HIBDMN CC(=O)N[C@@H](C)C1CCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000482501472 898082724 /nfs/dbraw/zinc/08/27/24/898082724.db2.gz SEUUVSRJBVDZGH-KRWDZBQOSA-N 0 1 410.518 4.099 20 5 HIBDMN CO[C@@H]1CCCC[C@@H]1N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000483731721 899392138 /nfs/dbraw/zinc/39/21/38/899392138.db2.gz PWSIGIMMVGPVIG-ZCNNSNEGSA-N 0 1 417.893 4.475 20 5 HIBDMN COc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc(OC)c1C(C)C ZINC000484109207 899734605 /nfs/dbraw/zinc/73/46/05/899734605.db2.gz PHCSDMDLPVNRKX-UHFFFAOYSA-N 0 1 408.476 4.153 20 5 HIBDMN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1cc(Cl)cc(Br)c1O ZINC000486802313 901862953 /nfs/dbraw/zinc/86/29/53/901862953.db2.gz NXZXFARUKZZZNC-UHFFFAOYSA-N 0 1 421.581 4.176 20 5 HIBDMN O=[N+]([O-])c1cc(Cl)ccc1CN1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000486857108 901902441 /nfs/dbraw/zinc/90/24/41/901902441.db2.gz QMZJRXXGGVDYOO-FOIQADDNSA-N 0 1 402.882 4.137 20 5 HIBDMN Cc1ccc(Sc2ccc(CNCc3ccc(C)n(C)c3=O)cc2[N+](=O)[O-])cc1 ZINC000487163222 902081541 /nfs/dbraw/zinc/08/15/41/902081541.db2.gz JOOOGEOZIVJRMD-UHFFFAOYSA-N 0 1 409.511 4.351 20 5 HIBDMN Cc1nc(COc2ccc(CNCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)cc2)no1 ZINC000487185041 902091082 /nfs/dbraw/zinc/09/10/82/902091082.db2.gz IIBANLDLSUZPNQ-UHFFFAOYSA-N 0 1 422.363 4.174 20 5 HIBDMN Cc1[nH]c(SCC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)nc1Cc1ccccc1 ZINC000488116192 902616677 /nfs/dbraw/zinc/61/66/77/902616677.db2.gz WZGVLSFFVMXGIN-HNNXBMFYSA-N 0 1 424.526 4.495 20 5 HIBDMN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1 ZINC000489037750 903143462 /nfs/dbraw/zinc/14/34/62/903143462.db2.gz PYKDIVZHABPXFJ-UHFFFAOYSA-N 0 1 415.409 4.064 20 5 HIBDMN COc1cc(CN2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)ccc1[N+](=O)[O-] ZINC000489231173 903276281 /nfs/dbraw/zinc/27/62/81/903276281.db2.gz IULWSXILYRBQKY-FQEVSTJZSA-N 0 1 415.877 4.205 20 5 HIBDMN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(Cc2ccc([N+](=O)[O-])c(OC)c2)[C@@H]2CCCC[C@H]12 ZINC000490005090 903720770 /nfs/dbraw/zinc/72/07/70/903720770.db2.gz OLRBUACCAGBVCM-ORFRNNEJSA-N 0 1 417.550 4.287 20 5 HIBDMN COc1ccc(CCCCCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000490367934 903959817 /nfs/dbraw/zinc/95/98/17/903959817.db2.gz MTMVQTJBZFYKJA-UHFFFAOYSA-N 0 1 409.446 4.130 20 5 HIBDMN CCO[C@H]1C[C@@H](N(C)Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C12CCC2 ZINC000490380468 903972325 /nfs/dbraw/zinc/97/23/25/903972325.db2.gz YPBUPMUHSCMOFR-MSOLQXFVSA-N 0 1 414.449 4.027 20 5 HIBDMN O=[N+]([O-])c1ccccc1CN1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000506148722 914825464 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ZINC000518871277 927580463 /nfs/dbraw/zinc/58/04/63/927580463.db2.gz HRGWLYNUIGBQFF-UHFFFAOYSA-N 0 1 405.454 4.424 20 5 HIBDMN COc1ccc(-c2n[nH]c(Sc3ccc([N+](=O)[O-])c4cnccc34)n2)c(OC)c1 ZINC000521359639 929181051 /nfs/dbraw/zinc/18/10/51/929181051.db2.gz SKPMCWZZXQCXNN-UHFFFAOYSA-N 0 1 409.427 4.097 20 5 HIBDMN C[C@@H](N[C@H](COCc1ccccc1)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000524888349 929874294 /nfs/dbraw/zinc/87/42/94/929874294.db2.gz PBMQOWHWSHKWFI-WZONZLPQSA-N 0 1 419.481 4.470 20 5 HIBDMN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000530965441 930870251 /nfs/dbraw/zinc/87/02/51/930870251.db2.gz WMNLRGKECZMLTM-OLZOCXBDSA-N 0 1 411.380 4.480 20 5 HIBDMN O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000531265119 930988741 /nfs/dbraw/zinc/98/87/41/930988741.db2.gz UJGILDUHVBCIMN-HXUWFJFHSA-N 0 1 401.894 4.134 20 5 HIBDMN O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3CCN(c4c(F)cccc4F)C3)cs2)c1 ZINC000531777698 931192728 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C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](C)c1nc(-c2ccncc2)cs1 ZINC000537968521 938439695 /nfs/dbraw/zinc/43/96/95/938439695.db2.gz KKTGJFJONJJJCE-KBPBESRZSA-N 0 1 411.487 4.181 20 5 HIBDMN Cc1ccc2nc([C@@H]3CCCN([C@@H](C)C(=O)Nc4cccc([N+](=O)[O-])c4C)C3)[nH]c2c1 ZINC000538148513 938521187 /nfs/dbraw/zinc/52/11/87/938521187.db2.gz WABREDSZYHXTDB-DLBZAZTESA-N 0 1 421.501 4.295 20 5 HIBDMN COc1ccccc1[C@@H](CNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C)N1CCCC1 ZINC000538752848 938702792 /nfs/dbraw/zinc/70/27/92/938702792.db2.gz QMBGFDJDUSINGJ-LJQANCHMSA-N 0 1 411.502 4.096 20 5 HIBDMN C[C@H](N[C@@H](C)c1ccc(OCc2cccnc2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000539225301 938821412 /nfs/dbraw/zinc/82/14/12/938821412.db2.gz CJODCPPJBAFDTM-IRXDYDNUSA-N 0 1 420.469 4.247 20 5 HIBDMN C[C@@H](N[C@H](C)c1cccc(OCc2ccccn2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000539253477 938827045 /nfs/dbraw/zinc/82/70/45/938827045.db2.gz MHPMSDZLGFQFPV-IAGOWNOFSA-N 0 1 420.469 4.247 20 5 HIBDMN 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Cc1cc(CN2CCSCC2)ccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000072058218 852489760 /nfs/dbraw/zinc/48/97/60/852489760.db2.gz DOELLRPXDFIDRY-UHFFFAOYSA-N 0 1 405.907 4.358 20 5 HIBDMN Cc1c(CN2CCSCC2)cccc1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000110075609 853056820 /nfs/dbraw/zinc/05/68/20/853056820.db2.gz YBOYSHAPCJHROV-UHFFFAOYSA-N 0 1 410.499 4.186 20 5 HIBDMN O=C(CSc1nc(-c2ccccc2)n[nH]1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000115040953 853243807 /nfs/dbraw/zinc/24/38/07/853243807.db2.gz JIVKJRKVNBPBBL-UHFFFAOYSA-N 0 1 423.376 4.130 20 5 HIBDMN O=[N+]([O-])c1ccccc1CNCc1ccc(Br)c(Br)c1 ZINC000124524654 853369313 /nfs/dbraw/zinc/36/93/13/853369313.db2.gz HJRAVOKYOWZHSO-UHFFFAOYSA-N 0 1 400.070 4.410 20 5 HIBDMN CSc1ccc(C(=O)Nc2cccc(CN3CCSCC3)c2C)cc1[N+](=O)[O-] ZINC000195744420 853790988 /nfs/dbraw/zinc/79/09/88/853790988.db2.gz ZNESJEAQQMXFLJ-UHFFFAOYSA-N 0 1 417.556 4.426 20 5 HIBDMN CCN1CCN(c2ccc(Cl)cc2NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000209116404 853809400 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1 404.469 4.382 20 5 HIBDMN Cc1cc(N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302145321 854537233 /nfs/dbraw/zinc/53/72/33/854537233.db2.gz GJWHIYYTJQEHOH-UHFFFAOYSA-N 0 1 408.433 4.446 20 5 HIBDMN O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1 ZINC000303282130 854850364 /nfs/dbraw/zinc/85/03/64/854850364.db2.gz MLPULUIYZAAZHL-UHFFFAOYSA-N 0 1 406.373 4.295 20 5 HIBDMN O=[N+]([O-])c1cc(CN2CCC(c3c[nH]c4cc(F)ccc43)CC2)c2c(c1)COCO2 ZINC000303434861 854935766 /nfs/dbraw/zinc/93/57/66/854935766.db2.gz DFVRESJCJAWBOI-UHFFFAOYSA-N 0 1 411.433 4.461 20 5 HIBDMN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(Br)sc1C ZINC000320302660 855388279 /nfs/dbraw/zinc/38/82/79/855388279.db2.gz DVRCTXMOHJWQCB-UHFFFAOYSA-N 0 1 405.295 4.090 20 5 HIBDMN CC(C)(C)c1nn(Cc2ccccc2)cc1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000425971628 856023037 /nfs/dbraw/zinc/02/30/37/856023037.db2.gz RBBTZKZSSAAIAF-UHFFFAOYSA-N 0 1 422.533 4.171 20 5 HIBDMN COC[C@@H](c1ccc(Cl)cc1)N(C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000426511714 856327410 /nfs/dbraw/zinc/32/74/10/856327410.db2.gz UGAWRWSLRXFPKN-FQEVSTJZSA-N 0 1 414.893 4.468 20 5 HIBDMN CC(C)n1c2ccccc2nc1[C@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000428020885 857044710 /nfs/dbraw/zinc/04/47/10/857044710.db2.gz GTDOWCDOBDBGOV-HNNXBMFYSA-N 0 1 408.458 4.251 20 5 HIBDMN Cc1ccc(NC(=O)[C@@H](N[C@H]2Cc3cccc(O)c3C2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000429235347 857566483 /nfs/dbraw/zinc/56/64/83/857566483.db2.gz IQMOSLDZDVPBOD-MBSDFSHPSA-N 0 1 417.465 4.046 20 5 HIBDMN O=C(Nc1ccccc1-c1nnc(-c2ccccc2)[nH]1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000432471184 859180471 /nfs/dbraw/zinc/18/04/71/859180471.db2.gz XEEVMPAOLJCQLN-UHFFFAOYSA-N 0 1 401.382 4.005 20 5 HIBDMN CC1(C)C[C@@H](N[C@H](Cc2ccccc2)C(=O)N2CCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433164115 859548364 /nfs/dbraw/zinc/54/83/64/859548364.db2.gz QNHSGUKDOYRHQV-FGZHOGPDSA-N 0 1 407.514 4.141 20 5 HIBDMN Cc1cnc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000433175171 859555328 /nfs/dbraw/zinc/55/53/28/859555328.db2.gz OSUQCYHNCBMWOF-UHFFFAOYSA-N 0 1 418.862 4.123 20 5 HIBDMN Cc1c(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)cccc1[N+](=O)[O-] ZINC000435646591 860932305 /nfs/dbraw/zinc/93/23/05/860932305.db2.gz QNIYUUCKEZIPIX-UHFFFAOYSA-N 0 1 406.486 4.263 20 5 HIBDMN Cc1c(NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)cccc1[N+](=O)[O-] ZINC000435646591 860932330 /nfs/dbraw/zinc/93/23/30/860932330.db2.gz QNIYUUCKEZIPIX-UHFFFAOYSA-N 0 1 406.486 4.263 20 5 HIBDMN COc1cccc(C(=O)Nc2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)c1[N+](=O)[O-] ZINC000435919594 861180611 /nfs/dbraw/zinc/18/06/11/861180611.db2.gz ZKQFFJROHWLAQL-UHFFFAOYSA-N 0 1 415.409 4.308 20 5 HIBDMN COc1cccc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)c1[N+](=O)[O-] ZINC000435919594 861180615 /nfs/dbraw/zinc/18/06/15/861180615.db2.gz ZKQFFJROHWLAQL-UHFFFAOYSA-N 0 1 415.409 4.308 20 5 HIBDMN C[C@@H](NCc1cccc(NC(=O)NCc2ccncc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000467867115 881722450 /nfs/dbraw/zinc/72/24/50/881722450.db2.gz NSWPYZUVEFIJPI-MRXNPFEDSA-N 0 1 405.458 4.162 20 5 HIBDMN COc1ccc(Cl)cc1NC(=O)C[C@H](C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000468037004 881867711 /nfs/dbraw/zinc/86/77/11/881867711.db2.gz LJGXYHJBWVTHIQ-NSHDSACASA-N 0 1 412.273 4.417 20 5 HIBDMN C[C@@H](N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000468052194 881877420 /nfs/dbraw/zinc/87/74/20/881877420.db2.gz RNZWLFSIZFJEHO-CZUORRHYSA-N 0 1 407.392 4.065 20 5 HIBDMN C[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Br)s1 ZINC000443313451 867898916 /nfs/dbraw/zinc/89/89/16/867898916.db2.gz AWXITSATLKQUSH-MRVPVSSYSA-N 0 1 418.700 4.362 20 5 HIBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H](COCc2ccccc2)C1 ZINC000444177340 868649763 /nfs/dbraw/zinc/64/97/63/868649763.db2.gz UZYJEEGTGNGAMF-WMZOPIPTSA-N 0 1 408.458 4.245 20 5 HIBDMN CC(=O)c1ccc(O)c(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 ZINC000444283297 868712325 /nfs/dbraw/zinc/71/23/25/868712325.db2.gz DGBXXXOFYZLCAS-UHFFFAOYSA-N 0 1 408.360 4.120 20 5 HIBDMN CCc1[nH]nc(C(=O)N2CCc3ccccc3[C@@H](c3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000444336298 868765003 /nfs/dbraw/zinc/76/50/03/868765003.db2.gz JREQBMHZEOEXJP-FOIQADDNSA-N 0 1 404.470 4.099 20 5 HIBDMN O=c1ccc([N+](=O)[O-])cn1CCN[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000444745220 868984411 /nfs/dbraw/zinc/98/44/11/868984411.db2.gz SRNRLRNHMUEWEX-CQSZACIVSA-N 0 1 423.313 4.059 20 5 HIBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@H](c3nccn3C)C2)cc1OC ZINC000444803074 869017139 /nfs/dbraw/zinc/01/71/39/869017139.db2.gz NCVADBZIVTYYBG-SJORKVTESA-N 0 1 416.522 4.141 20 5 HIBDMN Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3F)nc2)cc1[N+](=O)[O-] ZINC000447271443 871159661 /nfs/dbraw/zinc/15/96/61/871159661.db2.gz RAMIIRAEAFPVKC-UHFFFAOYSA-N 0 1 403.391 4.030 20 5 HIBDMN COc1cc(OC)cc([C@H](N[C@H](C)CCc2ccccc2[N+](=O)[O-])c2nccn2C)c1 ZINC000468510539 882512092 /nfs/dbraw/zinc/51/20/92/882512092.db2.gz GZTJJTUZRAXDBF-ZHRRBRCNSA-N 0 1 424.501 4.046 20 5 HIBDMN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1cc(Br)cc3c1OCC3)CCC2 ZINC000447601414 871506197 /nfs/dbraw/zinc/50/61/97/871506197.db2.gz PYCFGGSOYAHDAP-GOSISDBHSA-N 0 1 403.276 4.459 20 5 HIBDMN O=C1[C@@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCN1Cc1ccc(F)cc1F ZINC000447599976 871506682 /nfs/dbraw/zinc/50/66/82/871506682.db2.gz LEPJLBCDFCTNIO-SFTDATJTSA-N 0 1 415.440 4.031 20 5 HIBDMN Cc1cccc2nc(CNc3cc(C(F)(F)C(F)(F)F)ncc3[N+](=O)[O-])[nH]c21 ZINC000447675623 871609494 /nfs/dbraw/zinc/60/94/94/871609494.db2.gz NPTJWUIUZDZLIB-UHFFFAOYSA-N 0 1 401.295 4.441 20 5 HIBDMN C[C@@H]1OCC[C@]12CN(Cc1ccc(-c3ccc([N+](=O)[O-])cc3Cl)o1)C[C@@H](C)O2 ZINC000448357148 872304836 /nfs/dbraw/zinc/30/48/36/872304836.db2.gz VVQVZWYJWKWQOU-CKNLXJGOSA-N 0 1 406.866 4.277 20 5 HIBDMN CC(C)c1[nH]nc(C(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000448443643 872385919 /nfs/dbraw/zinc/38/59/19/872385919.db2.gz ANWOJTPCBPOFDA-UHFFFAOYSA-N 0 1 408.911 4.492 20 5 HIBDMN C[C@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])Cc1cccs1 ZINC000462485254 875595794 /nfs/dbraw/zinc/59/57/94/875595794.db2.gz CLWXGFPOPSKKBV-VIFPVBQESA-N 0 1 409.316 4.120 20 5 HIBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CCc2c1cccc2F ZINC000462511469 875628568 /nfs/dbraw/zinc/62/85/68/875628568.db2.gz GOWPEWDUMONZEI-ZDUSSCGKSA-N 0 1 405.234 4.007 20 5 HIBDMN CC[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000463420581 876475410 /nfs/dbraw/zinc/47/54/10/876475410.db2.gz ABHIZTYDEPMPNQ-QGZVFWFLSA-N 0 1 421.419 4.180 20 5 HIBDMN CN(C[C@@H]1CCCOC1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000467140690 880883415 /nfs/dbraw/zinc/88/34/15/880883415.db2.gz ZBEYYJYRWZCJLN-YWZLYKJASA-N 0 1 417.893 4.286 20 5 HIBDMN COC[C@@H]1CCCCN([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000467320741 881068702 /nfs/dbraw/zinc/06/87/02/881068702.db2.gz DMKJMJWEVUJPAR-GCJKJVERSA-N 0 1 411.502 4.332 20 5 HIBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000469455470 883663720 /nfs/dbraw/zinc/66/37/20/883663720.db2.gz VSAGBSAHWZZOPS-KRWDZBQOSA-N 0 1 410.396 4.346 20 5 HIBDMN CN(C)[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000469494143 883734986 /nfs/dbraw/zinc/73/49/86/883734986.db2.gz PAALRCVLDSDZCZ-MRXNPFEDSA-N 0 1 415.799 4.300 20 5 HIBDMN CC(C)c1[nH]nc(C(=O)N(C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-] ZINC000470733299 885188210 /nfs/dbraw/zinc/18/82/10/885188210.db2.gz QXJMXQWIHDDHFA-SNVBAGLBSA-N 0 1 415.277 4.288 20 5 HIBDMN COc1cccc([C@H]2[C@@H](NC(=O)Nc3ccc([N+](=O)[O-])cc3C)CCN2C2CC2)c1 ZINC000471926464 886718386 /nfs/dbraw/zinc/71/83/86/886718386.db2.gz DGWHQYHCXJZXHT-SFTDATJTSA-N 0 1 410.474 4.011 20 5 HIBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@]1(c2ccccc2)CCCCC1=O ZINC000472619961 887487922 /nfs/dbraw/zinc/48/79/22/887487922.db2.gz DWIDSXGBLAYXQD-QHCPKHFHSA-N 0 1 409.486 4.202 20 5 HIBDMN COC(=O)COc1ccc(CN[C@H](c2ccccc2)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000474356674 889234766 /nfs/dbraw/zinc/23/47/66/889234766.db2.gz SCVIWMQFUCBBQX-XMMPIXPASA-N 0 1 420.465 4.334 20 5 HIBDMN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCCN(Cc2ccccc2)CC1 ZINC000475204250 890075183 /nfs/dbraw/zinc/07/51/83/890075183.db2.gz OIABIALJTXXLCE-UHFFFAOYSA-N 0 1 422.407 4.353 20 5 HIBDMN COc1ccccc1[C@H](CNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)N1CCCC1 ZINC000475557703 890485648 /nfs/dbraw/zinc/48/56/48/890485648.db2.gz BFDAOJXNIXTZFL-FQEVSTJZSA-N 0 1 412.490 4.179 20 5 HIBDMN CCN(Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)[C@@H](C)c1cc2ccccc2o1 ZINC000475565786 890496329 /nfs/dbraw/zinc/49/63/29/890496329.db2.gz MYCPTZROHFILIC-HNNXBMFYSA-N 0 1 412.442 4.476 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](C)c1cc2cccc(F)c2o1 ZINC000475701431 890639858 /nfs/dbraw/zinc/63/98/58/890639858.db2.gz LSAPDXJRWDOJOU-VXGBXAGGSA-N 0 1 401.394 4.167 20 5 HIBDMN CCOc1c(Br)cc(Cl)cc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000475916648 890844664 /nfs/dbraw/zinc/84/46/64/890844664.db2.gz HNIYUGLBEUEBJU-UHFFFAOYSA-N 0 1 415.627 4.367 20 5 HIBDMN CCOc1ccc([C@@H](C)N[C@H](CN2CCOCC2)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000504911314 913645246 /nfs/dbraw/zinc/64/52/46/913645246.db2.gz DPLRCILOLNPMGE-WIYYLYMNSA-N 0 1 413.518 4.026 20 5 HIBDMN CCOc1ccc([C@H](C)N[C@@H](CN2CCOCC2)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000504911313 913645518 /nfs/dbraw/zinc/64/55/18/913645518.db2.gz DPLRCILOLNPMGE-RXVVDRJESA-N 0 1 413.518 4.026 20 5 HIBDMN Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2NCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000477723509 892827309 /nfs/dbraw/zinc/82/73/09/892827309.db2.gz JUEZMKUXEPGYGD-TZIWHRDSSA-N 0 1 402.516 4.086 20 5 HIBDMN CC(C)c1[nH]nc(C(=O)N2CCC(c3ccc(Br)cc3)CC2)c1[N+](=O)[O-] ZINC000505167873 913857047 /nfs/dbraw/zinc/85/70/47/913857047.db2.gz NVQAWTOQEBKDAU-UHFFFAOYSA-N 0 1 421.295 4.224 20 5 HIBDMN CO[C@H](c1ccccc1Cl)[C@H](C)NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000481394045 896800867 /nfs/dbraw/zinc/80/08/67/896800867.db2.gz UDOJAKMVCDRBPD-VOJFVSQTSA-N 0 1 412.273 4.206 20 5 HIBDMN CCC[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1C)C(=O)N1CCc2sccc2C1 ZINC000482246825 897730024 /nfs/dbraw/zinc/73/00/24/897730024.db2.gz LFPUXBZVEOOISR-YJBOKZPZSA-N 0 1 401.532 4.369 20 5 HIBDMN COCC1=CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 ZINC000482489493 898068901 /nfs/dbraw/zinc/06/89/01/898068901.db2.gz UGCDXWLCINBFMQ-UHFFFAOYSA-N 0 1 407.264 4.396 20 5 HIBDMN Cc1c([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000482534672 898121247 /nfs/dbraw/zinc/12/12/47/898121247.db2.gz JUFCDYBTENLLPE-IRXDYDNUSA-N 0 1 400.498 4.206 20 5 HIBDMN Cc1nc2ccccc2n1C1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000482889360 898505902 /nfs/dbraw/zinc/50/59/02/898505902.db2.gz MBFVSNBSESTIFM-INIZCTEOSA-N 0 1 421.501 4.225 20 5 HIBDMN O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000483062469 898741748 /nfs/dbraw/zinc/74/17/48/898741748.db2.gz RODWGHIKSUNSLM-UHFFFAOYSA-N 0 1 414.381 4.169 20 5 HIBDMN Cc1cccc(O[C@@H]2CCCC[C@@H]2NCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000484648128 900092981 /nfs/dbraw/zinc/09/29/81/900092981.db2.gz CPGONTVMQACHCS-VQTJNVASSA-N 0 1 408.458 4.433 20 5 HIBDMN O=C(Nc1cccc(-c2nnc[nH]2)c1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000486801462 901862878 /nfs/dbraw/zinc/86/28/78/901862878.db2.gz DDUJBAOWMSGWDL-UHFFFAOYSA-N 0 1 414.425 4.244 20 5 HIBDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)Cc4c(F)cc([N+](=O)[O-])cc4F)C3)[nH]c2c1 ZINC000486931630 901973947 /nfs/dbraw/zinc/97/39/47/901973947.db2.gz FREJLHPXNORYJC-CYBMUJFWSA-N 0 1 414.412 4.006 20 5 HIBDMN O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000488409782 902813729 /nfs/dbraw/zinc/81/37/29/902813729.db2.gz HWTIIVZORNPVEN-INIZCTEOSA-N 0 1 418.356 4.176 20 5 HIBDMN C[C@@H](OC[C@H](O)CN(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(Cl)cc1 ZINC000490451343 904017635 /nfs/dbraw/zinc/01/76/35/904017635.db2.gz GMGJRHBEABEBJX-QVKFZJNVSA-N 0 1 404.894 4.351 20 5 HIBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c(F)c1 ZINC000491143768 904453290 /nfs/dbraw/zinc/45/32/90/904453290.db2.gz YTYQWHZSTWQSPN-OAHLLOKOSA-N 0 1 400.385 4.303 20 5 HIBDMN Cc1ccc([C@H](CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)N2CCOCC2)o1 ZINC000491421912 904588304 /nfs/dbraw/zinc/58/83/04/904588304.db2.gz FUFUEBDVGWRFJS-UPVQGACJSA-N 0 1 421.497 4.249 20 5 HIBDMN O=C(C1CCCCC1)N1CC[C@H](N[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000493299884 905078394 /nfs/dbraw/zinc/07/83/94/905078394.db2.gz BQSOVDRDCLLOPT-GMAHTHKFSA-N 0 1 407.514 4.455 20 5 HIBDMN COc1cc(CNCc2cccc3cccnc32)c([N+](=O)[O-])cc1OCC(F)F ZINC000494029061 905372179 /nfs/dbraw/zinc/37/21/79/905372179.db2.gz OGNKJQOFSBCBJX-UHFFFAOYSA-N 0 1 403.385 4.085 20 5 HIBDMN C[C@@H]1OCC[C@@]1(C)N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000494251962 905578129 /nfs/dbraw/zinc/57/81/29/905578129.db2.gz UPSVDOTWLSNOTD-YHJVDBJQSA-N 0 1 403.866 4.085 20 5 HIBDMN CC(C)CN1Cc2cccc(NC(=O)COc3ccc([N+](=O)[O-])c4cccnc34)c2C1 ZINC000494492808 905779228 /nfs/dbraw/zinc/77/92/28/905779228.db2.gz DZAAPSSAIYDACL-UHFFFAOYSA-N 0 1 420.469 4.132 20 5 HIBDMN CCN1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CC1 ZINC000495145048 906270472 /nfs/dbraw/zinc/27/04/72/906270472.db2.gz NTIWMNYWMQVMLE-UHFFFAOYSA-N 0 1 416.909 4.028 20 5 HIBDMN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000497141357 906811692 /nfs/dbraw/zinc/81/16/92/906811692.db2.gz MUFVDFWKYBZDQK-MRXNPFEDSA-N 0 1 403.398 4.103 20 5 HIBDMN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000497141357 906811694 /nfs/dbraw/zinc/81/16/94/906811694.db2.gz MUFVDFWKYBZDQK-MRXNPFEDSA-N 0 1 403.398 4.103 20 5 HIBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)cc1 ZINC000512836405 921338613 /nfs/dbraw/zinc/33/86/13/921338613.db2.gz ZUFFVPCKRMLVJW-UHFFFAOYSA-N 0 1 405.819 4.236 20 5 HIBDMN O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000498140332 907660841 /nfs/dbraw/zinc/66/08/41/907660841.db2.gz MSSZTGOIZACTIX-SFHVURJKSA-N 0 1 422.510 4.113 20 5 HIBDMN Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1 ZINC000499638088 908862777 /nfs/dbraw/zinc/86/27/77/908862777.db2.gz UZNJXLMBXYJWCB-UHFFFAOYSA-N 0 1 405.389 4.036 20 5 HIBDMN O=[N+]([O-])c1ccc(CNCc2ccc(I)c(Cl)c2)cc1 ZINC000500440918 909859259 /nfs/dbraw/zinc/85/92/59/909859259.db2.gz NUVUDQYJQSTPEE-UHFFFAOYSA-N 0 1 402.619 4.143 20 5 HIBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000502329056 911307489 /nfs/dbraw/zinc/30/74/89/911307489.db2.gz DBFGPZHRAHTOBE-YJBOKZPZSA-N 0 1 411.506 4.387 20 5 HIBDMN COc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1NC(=O)C1CCCCC1 ZINC000506497004 915109619 /nfs/dbraw/zinc/10/96/19/915109619.db2.gz WPQLBLYBWFXIAU-UHFFFAOYSA-N 0 1 413.430 4.080 20 5 HIBDMN COCCSc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000507489043 916257109 /nfs/dbraw/zinc/25/71/09/916257109.db2.gz CPNMCQVHNZJKEB-HUUCEWRRSA-N 0 1 403.504 4.011 20 5 HIBDMN Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000507511835 916276417 /nfs/dbraw/zinc/27/64/17/916276417.db2.gz RRTXONZFAVVKBY-NSHDSACASA-N 0 1 407.455 4.394 20 5 HIBDMN O=[N+]([O-])c1cccc(F)c1CN1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000507920604 916800423 /nfs/dbraw/zinc/80/04/23/916800423.db2.gz NSHKXGHWNLMBKE-AWEZNQCLSA-N 0 1 400.385 4.303 20 5 HIBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC=C(c2ccccc2Cl)CC1 ZINC000509454846 918107373 /nfs/dbraw/zinc/10/73/73/918107373.db2.gz RWEBITMGCIWRQW-UHFFFAOYSA-N 0 1 415.877 4.375 20 5 HIBDMN CCN(CC)[C@@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000510476579 918930438 /nfs/dbraw/zinc/93/04/38/918930438.db2.gz WOVSPXJFMBVUEP-LJQANCHMSA-N 0 1 423.435 4.355 20 5 HIBDMN COc1cc(C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)ccc1[N+](=O)[O-] ZINC000511898983 920636879 /nfs/dbraw/zinc/63/68/79/920636879.db2.gz NYPCIUFPIDDZGK-UHFFFAOYSA-N 0 1 420.400 4.462 20 5 HIBDMN COc1cc(C[N@@H+](C)C[C@H]2CCCOC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000513496773 921847200 /nfs/dbraw/zinc/84/72/00/921847200.db2.gz KJKLMZUDQLECTG-GOSISDBHSA-N 0 1 400.475 4.041 20 5 HIBDMN COc1cc(CN(C)C[C@H]2CCCOC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000513496773 921847202 /nfs/dbraw/zinc/84/72/02/921847202.db2.gz KJKLMZUDQLECTG-GOSISDBHSA-N 0 1 400.475 4.041 20 5 HIBDMN CN(Cc1ccccc1)C(=O)CNCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000513638070 921961547 /nfs/dbraw/zinc/96/15/47/921961547.db2.gz OZRFCUFAFFXBIF-UHFFFAOYSA-N 0 1 418.497 4.111 20 5 HIBDMN C[C@H](C(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000562395636 945069113 /nfs/dbraw/zinc/06/91/13/945069113.db2.gz URTFKPXBSOEGGA-KRWDZBQOSA-N 0 1 424.501 4.152 20 5 HIBDMN O=[N+]([O-])c1cc(I)cc(CNCc2cccc3cccnc32)c1 ZINC000518014484 926953207 /nfs/dbraw/zinc/95/32/07/926953207.db2.gz MDARUZSSLVWPMN-UHFFFAOYSA-N 0 1 419.222 4.037 20 5 HIBDMN COc1ccc(-c2ccc(CNCc3ccc(Cn4cccn4)cc3)o2)c([N+](=O)[O-])c1 ZINC000520212035 928391343 /nfs/dbraw/zinc/39/13/43/928391343.db2.gz CJXQKFYPTSETJV-UHFFFAOYSA-N 0 1 418.453 4.398 20 5 HIBDMN COc1ccc2oc([C@H](C)NS(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])c(C)c2c1 ZINC000520740328 928790757 /nfs/dbraw/zinc/79/07/57/928790757.db2.gz KBHHODVLZWBYKC-NSHDSACASA-N 0 1 424.862 4.351 20 5 HIBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)c1C ZINC000521900938 929546072 /nfs/dbraw/zinc/54/60/72/929546072.db2.gz GWRJMKXFNZNJBT-UHFFFAOYSA-N 0 1 417.409 4.097 20 5 HIBDMN C[C@@H](N[C@@H](COCc1ccccc1)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000524888347 929874277 /nfs/dbraw/zinc/87/42/77/929874277.db2.gz PBMQOWHWSHKWFI-JPYJTQIMSA-N 0 1 419.481 4.470 20 5 HIBDMN O=C(N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000525112193 930044015 /nfs/dbraw/zinc/04/40/15/930044015.db2.gz DDSJJMLWPVMOEL-JOCHJYFZSA-N 0 1 411.421 4.472 20 5 HIBDMN C[C@]1(CN[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCCO1 ZINC000531527686 931094395 /nfs/dbraw/zinc/09/43/95/931094395.db2.gz 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O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H](c2cc3ccccc3o2)c2ccccc2)c1 ZINC000023679103 846738288 /nfs/dbraw/zinc/73/82/88/846738288.db2.gz XNUSFRHNOFLZEZ-YKSBVNFPSA-N 0 1 418.449 4.460 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(Cc1ccco1)Cc1cccs1 ZINC000026257984 847115960 /nfs/dbraw/zinc/11/59/60/847115960.db2.gz ZUZXYEFBJWPXGY-UHFFFAOYSA-N 0 1 415.471 4.289 20 5 HIBDMN COc1cc([C@@H](C)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC(C)C ZINC000030454875 847717022 /nfs/dbraw/zinc/71/70/22/847717022.db2.gz ZISJZBDVUHLHOS-HUUCEWRRSA-N 0 1 401.463 4.068 20 5 HIBDMN CCN(CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC)c1ccccc1Cl ZINC000032316871 848003166 /nfs/dbraw/zinc/00/31/66/848003166.db2.gz AZCSFLIOKZXLJK-GOSISDBHSA-N 0 1 405.882 4.070 20 5 HIBDMN O=[N+]([O-])c1cccc(OC[C@H](O)CN(Cc2cccs2)Cc2cccs2)c1 ZINC000032775814 848074712 /nfs/dbraw/zinc/07/47/12/848074712.db2.gz CFIYZHNJXHRQIL-MRXNPFEDSA-N 0 1 404.513 4.160 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000043302837 848406806 /nfs/dbraw/zinc/40/68/06/848406806.db2.gz CSIXARBAHHCQIG-RYUDHWBXSA-N 0 1 411.380 4.300 20 5 HIBDMN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000046226432 848807058 /nfs/dbraw/zinc/80/70/58/848807058.db2.gz XCDZJWGRXVBSLC-HXUWFJFHSA-N 0 1 416.909 4.227 20 5 HIBDMN CC(C)c1ccc(CNCc2ccc(S(=O)(=O)N(C)C(C)C)cc2)cc1[N+](=O)[O-] ZINC000063526168 851707594 /nfs/dbraw/zinc/70/75/94/851707594.db2.gz JLRKHUQFSAAMFR-UHFFFAOYSA-N 0 1 419.547 4.037 20 5 HIBDMN Cc1c(NC(=O)CCN(C)Cc2cc(Br)ccc2F)cccc1[N+](=O)[O-] ZINC000063742413 851753104 /nfs/dbraw/zinc/75/31/04/851753104.db2.gz DDARYBNYCHWVIK-UHFFFAOYSA-N 0 1 424.270 4.265 20 5 HIBDMN COc1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1Br ZINC000096956042 852563336 /nfs/dbraw/zinc/56/33/36/852563336.db2.gz WNXLLSHCDGMHNL-NWDGAFQWSA-N 0 1 422.279 4.044 20 5 HIBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000109484335 852975768 /nfs/dbraw/zinc/97/57/68/852975768.db2.gz IPGGLOFZSGBVQB-HNNXBMFYSA-N 0 1 417.556 4.263 20 5 HIBDMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000109892025 853030302 /nfs/dbraw/zinc/03/03/02/853030302.db2.gz DSXVNNKIWSHGBO-UHFFFAOYSA-N 0 1 412.877 4.124 20 5 HIBDMN O=C(OCc1cccc([N+](=O)[O-])c1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000110102595 853059578 /nfs/dbraw/zinc/05/95/78/853059578.db2.gz LDPLCOGPYLEZOM-LJQANCHMSA-N 0 1 408.376 4.093 20 5 HIBDMN Cc1ccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c(Br)c1 ZINC000145551876 853553633 /nfs/dbraw/zinc/55/36/33/853553633.db2.gz RRBSMIVFVKDDEY-UHFFFAOYSA-N 0 1 405.657 4.120 20 5 HIBDMN CC(C)C[C@H](C)Oc1cc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000236748243 853918684 /nfs/dbraw/zinc/91/86/84/853918684.db2.gz JNGHAHRTUSKCLX-KRWDZBQOSA-N 0 1 423.517 4.494 20 5 HIBDMN CC[C@H](C)NC(=O)[C@@H](C)NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000236983748 853947662 /nfs/dbraw/zinc/94/76/62/853947662.db2.gz DJWBQAUDOMRDFI-UONOGXRCSA-N 0 1 405.882 4.433 20 5 HIBDMN CC[C@H](C)C(=O)Nc1cccc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000237108905 853966252 /nfs/dbraw/zinc/96/62/52/853966252.db2.gz SGZWLAHBLYWXFE-INIZCTEOSA-N 0 1 421.501 4.270 20 5 HIBDMN COc1ccc(CN[C@@H](CO)c2ccccc2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237144211 853972433 /nfs/dbraw/zinc/97/24/33/853972433.db2.gz OFLPZGBHHOULPW-NRFANRHFSA-N 0 1 408.454 4.006 20 5 HIBDMN COc1ccc(CN[C@@H]2CCCc3c2cnn3C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237315727 854005121 /nfs/dbraw/zinc/00/51/21/854005121.db2.gz NKJPEGJTANQXQB-HXUWFJFHSA-N 0 1 422.485 4.083 20 5 HIBDMN COc1cc(CNCc2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1ccccc1 ZINC000237318374 854005990 /nfs/dbraw/zinc/00/59/90/854005990.db2.gz YNLXCEHUYKWVGA-UHFFFAOYSA-N 0 1 408.454 4.481 20 5 HIBDMN COc1ccc(-c2ccc(CNCc3cccc(Cn4cccn4)c3)o2)c([N+](=O)[O-])c1 ZINC000237421560 854029791 /nfs/dbraw/zinc/02/97/91/854029791.db2.gz YRZZJZHNWVAQGB-UHFFFAOYSA-N 0 1 418.453 4.398 20 5 HIBDMN COc1ccc(-c2ccc(CN[C@H](C)c3ccc(NC(N)=O)cc3)o2)c([N+](=O)[O-])c1 ZINC000237439964 854033896 /nfs/dbraw/zinc/03/38/96/854033896.db2.gz HVRWQCZOCWDBCR-CYBMUJFWSA-N 0 1 410.430 4.205 20 5 HIBDMN Cc1nn(C)cc1[C@@H](C)NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237469776 854038838 /nfs/dbraw/zinc/03/88/38/854038838.db2.gz QFXHBCPZNNRUAO-MRXNPFEDSA-N 0 1 416.485 4.340 20 5 HIBDMN COc1cccc(N2CCC[C@@H](NCc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)c1 ZINC000237508754 854047305 /nfs/dbraw/zinc/04/73/05/854047305.db2.gz UQNIDMWRIDEBAU-QGZVFWFLSA-N 0 1 424.526 4.486 20 5 HIBDMN C[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)N1CCCC[C@H]1C ZINC000237660383 854069982 /nfs/dbraw/zinc/06/99/82/854069982.db2.gz DJLRWXDSVGMZAV-KGLIPLIRSA-N 0 1 405.882 4.387 20 5 HIBDMN Cc1nn(-c2ccc(Br)cc2)c(C)c1CNCc1ccc([N+](=O)[O-])cc1 ZINC000237701758 854078869 /nfs/dbraw/zinc/07/88/69/854078869.db2.gz CEMWZEBMWTVQFP-UHFFFAOYSA-N 0 1 415.291 4.450 20 5 HIBDMN O=[N+]([O-])c1cc(CNCc2ccc(-n3cncn3)cc2)ccc1Oc1ccc(F)cc1 ZINC000237882885 854113904 /nfs/dbraw/zinc/11/39/04/854113904.db2.gz MEJSHMIWOOUCFQ-UHFFFAOYSA-N 0 1 419.416 4.397 20 5 HIBDMN Cn1cc(CNCc2ccccc2Br)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237934011 854121754 /nfs/dbraw/zinc/12/17/54/854121754.db2.gz FAODRHMEDYVNFN-UHFFFAOYSA-N 0 1 401.264 4.048 20 5 HIBDMN Cc1cc(N2CCC(NC(=O)Nc3ccccc3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302160347 854539610 /nfs/dbraw/zinc/53/96/10/854539610.db2.gz JQBPVZTWMXDRIQ-UHFFFAOYSA-N 0 1 405.458 4.242 20 5 HIBDMN Cc1cc(N2CCC(c3nc(-c4ccccn4)no3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302208608 854550993 /nfs/dbraw/zinc/55/09/93/854550993.db2.gz XTKGZEUDQXAABI-UHFFFAOYSA-N 0 1 416.441 4.280 20 5 HIBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CCCc1cc(-c2ccccc2)no1 ZINC000303156778 854790817 /nfs/dbraw/zinc/79/08/17/854790817.db2.gz SLVIMKRQGLEDLF-MRXNPFEDSA-N 0 1 408.458 4.141 20 5 HIBDMN COc1ccccc1[C@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCCCC1 ZINC000410089897 855814601 /nfs/dbraw/zinc/81/46/01/855814601.db2.gz VTWGSDJSMJYQRV-FQEVSTJZSA-N 0 1 422.485 4.042 20 5 HIBDMN CCOc1cc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)ccc1OCC(C)C ZINC000425980383 856029762 /nfs/dbraw/zinc/02/97/62/856029762.db2.gz KUMLJBYJUBCCSA-UHFFFAOYSA-N 0 1 402.495 4.062 20 5 HIBDMN O=C([O-])c1coc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c1 ZINC000426714994 856429822 /nfs/dbraw/zinc/42/98/22/856429822.db2.gz OZNLHXBDFDEWDC-UHFFFAOYSA-N 0 1 421.203 4.198 20 5 HIBDMN CCO[C@@H]1C[C@H](N[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C12CCCCC2 ZINC000429782821 857883832 /nfs/dbraw/zinc/88/38/32/857883832.db2.gz GRHWQUPBGKDTAO-JCGIZDLHSA-N 0 1 400.479 4.423 20 5 HIBDMN C[C@@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000430765871 858296241 /nfs/dbraw/zinc/29/62/41/858296241.db2.gz TVCZTNACTANBOB-WHSLLNHNSA-N 0 1 402.516 4.482 20 5 HIBDMN C[C@@H]1C[C@@]2(CCO1)CN(Cc1ccc(-c3ccccc3[N+](=O)[O-])s1)C[C@H](C)O2 ZINC000430765872 858296394 /nfs/dbraw/zinc/29/63/94/858296394.db2.gz TVCZTNACTANBOB-XFQAVAEZSA-N 0 1 402.516 4.482 20 5 HIBDMN C[C@@H]1C[C@@]2(CCO1)CN(Cc1ccc(-c3ccc([N+](=O)[O-])cc3)s1)C[C@H](C)O2 ZINC000430769524 858297970 /nfs/dbraw/zinc/29/79/70/858297970.db2.gz WCJHESZNLBTAEF-XFQAVAEZSA-N 0 1 402.516 4.482 20 5 HIBDMN O=C(Nc1cc(O)c(Br)cc1Br)c1cccc([N+](=O)[O-])c1 ZINC000431449112 858621800 /nfs/dbraw/zinc/62/18/00/858621800.db2.gz ZBSQHCVAGKCCGG-UHFFFAOYSA-N 0 1 416.025 4.078 20 5 HIBDMN O=C(C[C@@H]1CCCCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000432330327 859106070 /nfs/dbraw/zinc/10/60/70/859106070.db2.gz ZWNSRWJKWUTKTK-INIZCTEOSA-N 0 1 406.442 4.129 20 5 HIBDMN O=C(Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000432478233 859184643 /nfs/dbraw/zinc/18/46/43/859184643.db2.gz OTAAGYGWOMYTRR-UHFFFAOYSA-N 0 1 417.849 4.269 20 5 HIBDMN CC1(C)C[C@H](NCc2cccc(NC(=O)[C@H]3CCCO3)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433168077 859550323 /nfs/dbraw/zinc/55/03/23/859550323.db2.gz QGCACTVPSFXKTJ-LEWJYISDSA-N 0 1 409.486 4.225 20 5 HIBDMN CC1(C)C[C@@H](NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433177133 859555380 /nfs/dbraw/zinc/55/53/80/859555380.db2.gz PZTKMRCLBUBDNJ-SIKLNZKXSA-N 0 1 423.513 4.016 20 5 HIBDMN CC1(C)C[C@H](N[C@@H](CO)c2cccc(Br)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433295529 859621743 /nfs/dbraw/zinc/62/17/43/859621743.db2.gz PQUBSXGVFZRDGG-ROUUACIJSA-N 0 1 405.292 4.403 20 5 HIBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H]2c2nc3ccccc3n2C(C)C)c1[N+](=O)[O-] ZINC000434238226 860220302 /nfs/dbraw/zinc/22/03/02/860220302.db2.gz VJZHSWDGGVXQPF-INIZCTEOSA-N 0 1 410.478 4.349 20 5 HIBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H]2c2nc3ccccc3n2C(C)C)c1[N+](=O)[O-] ZINC000434238227 860220874 /nfs/dbraw/zinc/22/08/74/860220874.db2.gz VJZHSWDGGVXQPF-MRXNPFEDSA-N 0 1 410.478 4.349 20 5 HIBDMN COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000434251849 860230918 /nfs/dbraw/zinc/23/09/18/860230918.db2.gz XNKPYYPCEKUAIA-ZDUSSCGKSA-N 0 1 420.897 4.198 20 5 HIBDMN COc1ccc([C@H](CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000439211304 864633049 /nfs/dbraw/zinc/63/30/49/864633049.db2.gz QMIUHECXOIILJS-IBGZPJMESA-N 0 1 417.893 4.132 20 5 HIBDMN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000440749651 865887822 /nfs/dbraw/zinc/88/78/22/865887822.db2.gz CFWJNKNVWDIMDO-IBGZPJMESA-N 0 1 423.860 4.443 20 5 HIBDMN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2OCCC(F)(F)F)cc1[N+](=O)[O-] ZINC000443530931 868088974 /nfs/dbraw/zinc/08/89/74/868088974.db2.gz OHNSXVNWAGKLQN-UHFFFAOYSA-N 0 1 422.356 4.174 20 5 HIBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](Oc2ccccc2Cl)C1 ZINC000443658048 868259298 /nfs/dbraw/zinc/25/92/98/868259298.db2.gz NDXBIYNLWHLAIH-INIZCTEOSA-N 0 1 403.866 4.039 20 5 HIBDMN Cc1ccc(-c2cc(C(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)n[nH]2)cc1C ZINC000444116262 868626283 /nfs/dbraw/zinc/62/62/83/868626283.db2.gz OVSVECWNFDJVGG-UHFFFAOYSA-N 0 1 420.469 4.285 20 5 HIBDMN CC1CCC(N(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]2CCCO2)CC1 ZINC000444196473 868660200 /nfs/dbraw/zinc/66/02/00/868660200.db2.gz MUDPDGJDHOZUCV-KVWWFHCMSA-N 0 1 400.479 4.205 20 5 HIBDMN CN(C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000444232514 868681827 /nfs/dbraw/zinc/68/18/27/868681827.db2.gz AQYUYBPKFVQUCW-HXUWFJFHSA-N 0 1 411.505 4.028 20 5 HIBDMN CCc1[nH]nc(C(=O)N(CC)[C@@H](c2ccc(CC)cc2)c2cccnc2)c1[N+](=O)[O-] ZINC000444263190 868704845 /nfs/dbraw/zinc/70/48/45/868704845.db2.gz DJYOSUXIXIRGMT-FQEVSTJZSA-N 0 1 407.474 4.089 20 5 HIBDMN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444282952 868712622 /nfs/dbraw/zinc/71/26/22/868712622.db2.gz BIRYVJVNEOPUOT-MRXNPFEDSA-N 0 1 417.484 4.071 20 5 HIBDMN C[C@@H](N[C@@H](C)c1cccc(O)c1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000444751219 868987239 /nfs/dbraw/zinc/98/72/39/868987239.db2.gz CHEITSITMHGGLD-QWHCGFSZSA-N 0 1 412.471 4.102 20 5 HIBDMN COc1ccc([C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2C)N2CCCCC2)cc1 ZINC000446499075 870416745 /nfs/dbraw/zinc/41/67/45/870416745.db2.gz OHPSDVIGTZGDDF-NRFANRHFSA-N 0 1 412.490 4.261 20 5 HIBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)Cc2ccc(Cl)cc2Cl)c2cccnc21 ZINC000446768774 870682774 /nfs/dbraw/zinc/68/27/74/870682774.db2.gz JIXSMYYKIMDKOH-UHFFFAOYSA-N 0 1 412.254 4.392 20 5 HIBDMN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)s1 ZINC000446977770 870875268 /nfs/dbraw/zinc/87/52/68/870875268.db2.gz RIRYBXGMWBZFHV-SJKOYZFVSA-N 0 1 400.422 4.459 20 5 HIBDMN O=C1[C@@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCN1Cc1ccc(F)cc1F ZINC000447599975 871506045 /nfs/dbraw/zinc/50/60/45/871506045.db2.gz LEPJLBCDFCTNIO-RTWAWAEBSA-N 0 1 415.440 4.031 20 5 HIBDMN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1cc(Br)cc3c1OCC3)CCC2 ZINC000447601415 871507557 /nfs/dbraw/zinc/50/75/57/871507557.db2.gz PYCFGGSOYAHDAP-SFHVURJKSA-N 0 1 403.276 4.459 20 5 HIBDMN CN(C)[C@H]1CCOc2c(NC(=O)c3c([N+](=O)[O-])cccc3C(F)(F)F)cccc21 ZINC000447722664 871666435 /nfs/dbraw/zinc/66/64/35/871666435.db2.gz KIWKUASGWGTGLP-AWEZNQCLSA-N 0 1 409.364 4.251 20 5 HIBDMN C[C@@H]1OCC[C@@]12CN(Cc1ccc(-c3ccc([N+](=O)[O-])cc3Cl)o1)C[C@@H](C)O2 ZINC000448357150 872304281 /nfs/dbraw/zinc/30/42/81/872304281.db2.gz VVQVZWYJWKWQOU-LAPQFRIASA-N 0 1 406.866 4.277 20 5 HIBDMN Cc1cc(Br)c(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1Cl ZINC000461105732 874024523 /nfs/dbraw/zinc/02/45/23/874024523.db2.gz FWLZMUWMMYBURL-UHFFFAOYSA-N 0 1 411.686 4.181 20 5 HIBDMN Cc1c(Br)cccc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000462360438 875474980 /nfs/dbraw/zinc/47/49/80/875474980.db2.gz PCJNUHUDBPATNC-UHFFFAOYSA-N 0 1 422.260 4.015 20 5 HIBDMN Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)c(Br)c1 ZINC000462377358 875489850 /nfs/dbraw/zinc/48/98/50/875489850.db2.gz BHGKRAXUJBYMLU-UHFFFAOYSA-N 0 1 422.260 4.015 20 5 HIBDMN Cc1ccc(Br)cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000462384841 875496528 /nfs/dbraw/zinc/49/65/28/875496528.db2.gz RXUBBVPVYSDUDD-UHFFFAOYSA-N 0 1 422.260 4.015 20 5 HIBDMN O=C1C[C@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CN1[C@H]1C[C@H]1c1ccccc1 ZINC000462746348 875813960 /nfs/dbraw/zinc/81/39/60/875813960.db2.gz QKMQJVGIYWUNON-NYVOZVTQSA-N 0 1 417.465 4.101 20 5 HIBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000462778222 875834982 /nfs/dbraw/zinc/83/49/82/875834982.db2.gz KJBLKQBSUCVJRG-XLIONFOSSA-N 0 1 419.485 4.312 20 5 HIBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000462778222 875834984 /nfs/dbraw/zinc/83/49/84/875834984.db2.gz KJBLKQBSUCVJRG-XLIONFOSSA-N 0 1 419.485 4.312 20 5 HIBDMN Cc1ccc(CN[C@H](C)c2ccc(Br)cc2OCCCO)cc1[N+](=O)[O-] ZINC000463026214 876046070 /nfs/dbraw/zinc/04/60/70/876046070.db2.gz VSQLWXYLLJNPEU-CQSZACIVSA-N 0 1 423.307 4.278 20 5 HIBDMN COc1cccc(-c2nc(-c3ccc4[nH]c(-c5cscn5)nc4c3)no2)c1[N+](=O)[O-] ZINC000463187098 876244603 /nfs/dbraw/zinc/24/46/03/876244603.db2.gz YMFURQHUXUCKCT-UHFFFAOYSA-N 0 1 420.410 4.320 20 5 HIBDMN 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AFDDORVATAGENO-UHFFFAOYSA-N 0 1 420.469 4.285 20 5 HIBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000490372828 903966163 /nfs/dbraw/zinc/96/61/63/903966163.db2.gz WWHLNJWMRLRYQS-GJZGRUSLSA-N 0 1 417.347 4.141 20 5 HIBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(COc2ccccc2)cc1 ZINC000490403487 903987900 /nfs/dbraw/zinc/98/79/00/903987900.db2.gz XTQDLZNDHXOQKU-UHFFFAOYSA-N 0 1 415.409 4.211 20 5 HIBDMN C[C@H](OC[C@@H](O)CN(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(Cl)cc1 ZINC000490451338 904018202 /nfs/dbraw/zinc/01/82/02/904018202.db2.gz GMGJRHBEABEBJX-BTYIYWSLSA-N 0 1 404.894 4.351 20 5 HIBDMN COC(=O)COc1ccc(CN[C@@H]2CCCc3sc(Cl)cc32)cc1[N+](=O)[O-] ZINC000491983672 904751603 /nfs/dbraw/zinc/75/16/03/904751603.db2.gz VVWPNQLTIUCMSL-CYBMUJFWSA-N 0 1 410.879 4.029 20 5 HIBDMN CN(C)C(=O)[C@@H]1CCCN1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000506233609 914855625 /nfs/dbraw/zinc/85/56/25/914855625.db2.gz HWWPVXDDGPLFDG-KRWDZBQOSA-N 0 1 403.866 4.093 20 5 HIBDMN Cc1ccc(NC(=O)NC[C@H]2CCCN(C/C=C/c3ccccc3[N+](=O)[O-])C2)cc1 ZINC000512428053 921154867 /nfs/dbraw/zinc/15/48/67/921154867.db2.gz OWFXKGVUHBSNLX-MTCRFPMVSA-N 0 1 408.502 4.450 20 5 HIBDMN CC(C)CN1Cc2cccc(NC(=O)c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)c2C1 ZINC000494461005 905743085 /nfs/dbraw/zinc/74/30/85/905743085.db2.gz FLAQILFMCITOIN-UHFFFAOYSA-N 0 1 419.485 4.219 20 5 HIBDMN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](N[C@@H]1CCO[C@H]1C1CC1)c1ccccc1 ZINC000494465526 905747735 /nfs/dbraw/zinc/74/77/35/905747735.db2.gz NFTLPUYJHDAZCL-AQNXPRMDSA-N 0 1 415.877 4.085 20 5 HIBDMN CCSc1nnc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])s1 ZINC000495100338 906239233 /nfs/dbraw/zinc/23/92/33/906239233.db2.gz IQBQIPAXYMDTPM-UHFFFAOYSA-N 0 1 416.484 4.390 20 5 HIBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCc2sccc2[C@H]1c1cccs1 ZINC000497504672 906991346 /nfs/dbraw/zinc/99/13/46/906991346.db2.gz FMKCGXMHAXZGRL-SFHVURJKSA-N 0 1 410.480 4.382 20 5 HIBDMN Cc1c(NC(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cccc1[N+](=O)[O-] ZINC000512737321 921299329 /nfs/dbraw/zinc/29/93/29/921299329.db2.gz ZYHKKRLPQNEWEA-MRXNPFEDSA-N 0 1 422.407 4.318 20 5 HIBDMN CC(C)(C(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1)c1ccccc1[N+](=O)[O-] ZINC000498180156 907713895 /nfs/dbraw/zinc/71/38/95/907713895.db2.gz ZKEMNSJRFNMKEQ-KRWDZBQOSA-N 0 1 419.485 4.064 20 5 HIBDMN COc1ccc(CNCc2cnn3ccccc23)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000512859778 921361989 /nfs/dbraw/zinc/36/19/89/921361989.db2.gz DZQUNOGTDKCIMX-UHFFFAOYSA-N 0 1 418.453 4.120 20 5 HIBDMN C[C@H]1CCN(C)CCN1C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000498719510 908145013 /nfs/dbraw/zinc/14/50/13/908145013.db2.gz FJYXDISUJGUIGU-HNNXBMFYSA-N 0 1 416.909 4.027 20 5 HIBDMN CCN(CC)[C@@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccco1 ZINC000498829517 908237336 /nfs/dbraw/zinc/23/73/36/908237336.db2.gz YKMMPZOFSBLZQW-KRWDZBQOSA-N 0 1 414.487 4.124 20 5 HIBDMN COc1ccc(-c2ccc(CNCc3ccc(C[S@@](C)=O)cc3)o2)c([N+](=O)[O-])c1 ZINC000513071106 921524748 /nfs/dbraw/zinc/52/47/48/921524748.db2.gz VZHLUUJDFCWSEJ-GDLZYMKVSA-N 0 1 414.483 4.032 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1CN[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000513174852 921601238 /nfs/dbraw/zinc/60/12/38/921601238.db2.gz ZZSKBWVMNQVIFA-IBGZPJMESA-N 0 1 410.392 4.114 20 5 HIBDMN CC[C@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC)c(OC)c1 ZINC000506667583 915342143 /nfs/dbraw/zinc/34/21/43/915342143.db2.gz CRDXNHPQUOOECA-LRDDRELGSA-N 0 1 421.881 4.333 20 5 HIBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000506683268 915360186 /nfs/dbraw/zinc/36/01/86/915360186.db2.gz PVWXJNACVAUMBB-SFHVURJKSA-N 0 1 412.833 4.321 20 5 HIBDMN C[N@@H+](CCCc1cc(-c2ccccc2)no1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000507198649 915947093 /nfs/dbraw/zinc/94/70/93/915947093.db2.gz YNWAJSWZPBJZFO-UHFFFAOYSA-N 0 1 409.442 4.181 20 5 HIBDMN CN(CCCc1cc(-c2ccccc2)no1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000507198649 915947111 /nfs/dbraw/zinc/94/71/11/915947111.db2.gz YNWAJSWZPBJZFO-UHFFFAOYSA-N 0 1 409.442 4.181 20 5 HIBDMN COCCSc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000507481946 916248766 /nfs/dbraw/zinc/24/87/66/916248766.db2.gz DMHHQOQQFQBYRX-CABCVRRESA-N 0 1 403.504 4.011 20 5 HIBDMN O=[N+]([O-])c1cccc(F)c1CN1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000507951064 916812847 /nfs/dbraw/zinc/81/28/47/916812847.db2.gz MTTGOCLASZLRFC-CQSZACIVSA-N 0 1 400.385 4.303 20 5 HIBDMN COc1cc(CNc2nccn2CC(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000508501218 917285180 /nfs/dbraw/zinc/28/51/80/917285180.db2.gz XWAGUCDPBMNJAS-UHFFFAOYSA-N 0 1 402.373 4.009 20 5 HIBDMN Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000509218432 917918061 /nfs/dbraw/zinc/91/80/61/917918061.db2.gz OORDOYVNNHIMGP-UHFFFAOYSA-N 0 1 411.361 4.271 20 5 HIBDMN CCNC(=O)c1ccc(CNCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)cc1 ZINC000509622158 918269222 /nfs/dbraw/zinc/26/92/22/918269222.db2.gz WBEKBWGZNOUCRL-UHFFFAOYSA-N 0 1 418.497 4.402 20 5 HIBDMN Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)N(C)C ZINC000510549956 918993649 /nfs/dbraw/zinc/99/36/49/918993649.db2.gz NILMZUBTRABZOQ-BXKMTCNYSA-N 0 1 413.521 4.411 20 5 HIBDMN COc1ccccc1[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1C)N1CCCCC1 ZINC000511290126 919887265 /nfs/dbraw/zinc/88/72/65/919887265.db2.gz XVPSPBQGKSXILC-HXUWFJFHSA-N 0 1 412.490 4.261 20 5 HIBDMN CC(C)CN1Cc2cccc(NC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)c2C1 ZINC000511395045 920005979 /nfs/dbraw/zinc/00/59/79/920005979.db2.gz GBURSCILQKADOS-UHFFFAOYSA-N 0 1 405.458 4.004 20 5 HIBDMN CCOc1ccc(C(=O)Nc2ccc(CN3CCSCC3)cc2C)cc1[N+](=O)[O-] ZINC000513447638 921813406 /nfs/dbraw/zinc/81/34/06/921813406.db2.gz GCOYXMNWPNDAFH-UHFFFAOYSA-N 0 1 415.515 4.103 20 5 HIBDMN Cc1cc([C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3SCC(C)C)C2)n[nH]1 ZINC000513946793 922263824 /nfs/dbraw/zinc/26/38/24/922263824.db2.gz PSHHEPMOEIZIRF-OAHLLOKOSA-N 0 1 402.520 4.394 20 5 HIBDMN O=C(Nc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1F)C1CCCCC1 ZINC000515634940 923233916 /nfs/dbraw/zinc/23/39/16/923233916.db2.gz WISFXVPWKUDIFI-UHFFFAOYSA-N 0 1 421.450 4.054 20 5 HIBDMN CC[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000516786452 923885735 /nfs/dbraw/zinc/88/57/35/923885735.db2.gz DZJLPHWIRZEILE-GFCCVEGCSA-N 0 1 420.821 4.279 20 5 HIBDMN O=C(NCc1ccccc1[N+](=O)[O-])NC[C@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000517600056 926709099 /nfs/dbraw/zinc/70/90/99/926709099.db2.gz MQVPSODFJBOOIW-LJQANCHMSA-N 0 1 416.909 4.102 20 5 HIBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(-c3nc(C4CCCC4)no3)cc2)c1 ZINC000517614669 926724206 /nfs/dbraw/zinc/72/42/06/926724206.db2.gz RHBNKDSRRZRKOT-UHFFFAOYSA-N 0 1 414.443 4.103 20 5 HIBDMN Cc1c(NC(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)cccc1[N+](=O)[O-] ZINC000517899390 926881162 /nfs/dbraw/zinc/88/11/62/926881162.db2.gz TWRZARCEPSCTQJ-UHFFFAOYSA-N 0 1 406.446 4.100 20 5 HIBDMN COc1cc([N+](=O)[O-])ccc1CNC1(c2cccc(Br)c2)CCOCC1 ZINC000518287362 927146719 /nfs/dbraw/zinc/14/67/19/927146719.db2.gz AXXMRVLMWIVENC-UHFFFAOYSA-N 0 1 421.291 4.161 20 5 HIBDMN O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000520063188 928287455 /nfs/dbraw/zinc/28/74/55/928287455.db2.gz QHDAOAZXMASHRX-UHFFFAOYSA-N 0 1 414.381 4.169 20 5 HIBDMN COc1cc(CN[C@@H](C)c2cnn(C)c2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000520207419 928388219 /nfs/dbraw/zinc/38/82/19/928388219.db2.gz WAFPBLLDSFKVDA-HNNXBMFYSA-N 0 1 410.474 4.075 20 5 HIBDMN COc1cc(C)c([C@H](C)N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000520388086 928539824 /nfs/dbraw/zinc/53/98/24/928539824.db2.gz ARKCYQYRMKDNBW-QWHCGFSZSA-N 0 1 421.881 4.252 20 5 HIBDMN CCOc1cccc2cc([C@@H](C)N[C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)oc21 ZINC000520970533 928895850 /nfs/dbraw/zinc/89/58/50/928895850.db2.gz OUNYFIIBZHUZJO-KDOFPFPSSA-N 0 1 409.442 4.196 20 5 HIBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N(Cc1ccccc1)Cc1ccccc1F ZINC000521147032 929024587 /nfs/dbraw/zinc/02/45/87/929024587.db2.gz HWFJCWPRHPPQJT-UHFFFAOYSA-N 0 1 404.401 4.453 20 5 HIBDMN CCCN1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000521203418 929059300 /nfs/dbraw/zinc/05/93/00/929059300.db2.gz LLOALIUHBMVRQK-UHFFFAOYSA-N 0 1 403.866 4.208 20 5 HIBDMN C[C@@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000525248031 930104475 /nfs/dbraw/zinc/10/44/75/930104475.db2.gz XMVNBYIHVLIZIF-FZKQIMNGSA-N 0 1 405.401 4.042 20 5 HIBDMN Cc1ccc([C@@H](C)NC(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)C)cc1[N+](=O)[O-] ZINC000530994150 930879147 /nfs/dbraw/zinc/87/91/47/930879147.db2.gz VPFNTIKZCOZGDK-KUHUBIRLSA-N 0 1 404.898 4.220 20 5 HIBDMN C[C@@H](C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000562395379 945070088 /nfs/dbraw/zinc/07/00/88/945070088.db2.gz YVNCEBBDPGZQAD-FOIQADDNSA-N 0 1 401.894 4.305 20 5 HIBDMN CCC[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1C)C(=O)N1CCc2sccc2C1 ZINC000532221819 931360552 /nfs/dbraw/zinc/36/05/52/931360552.db2.gz KLNCCOVIIFUGGP-KXBFYZLASA-N 0 1 401.532 4.369 20 5 HIBDMN CN(C)[C@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(Cl)cc1 ZINC000532650975 931568159 /nfs/dbraw/zinc/56/81/59/931568159.db2.gz OKCDLMZCNNWGIY-HXUWFJFHSA-N 0 1 416.909 4.225 20 5 HIBDMN Cc1ccc(C(C)C)c(Oc2ccc(CNC[C@@H](C)S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000532810013 931635147 /nfs/dbraw/zinc/63/51/47/931635147.db2.gz XRVUZXQUXGSQHN-MRXNPFEDSA-N 0 1 420.531 4.342 20 5 HIBDMN CN(C)[C@@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(Cl)cc1 ZINC000533011819 931734825 /nfs/dbraw/zinc/73/48/25/931734825.db2.gz VXBVHVRQAITHEZ-FQEVSTJZSA-N 0 1 416.909 4.225 20 5 HIBDMN Cc1[nH]c2ccccc2c1C1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000533246261 931818074 /nfs/dbraw/zinc/81/80/74/931818074.db2.gz QOSDQLRBSHQBIY-UHFFFAOYSA-N 0 1 418.497 4.153 20 5 HIBDMN COc1ccc(CN2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1[N+](=O)[O-] ZINC000533382574 931853891 /nfs/dbraw/zinc/85/38/91/931853891.db2.gz WEXOGTWAYPGVOA-UHFFFAOYSA-N 0 1 421.856 4.247 20 5 HIBDMN Cc1ccc2nc([C@H]3CCCN(C(=O)c4c[nH]c5ccc([N+](=O)[O-])cc45)C3)[nH]c2c1 ZINC000534937566 932846827 /nfs/dbraw/zinc/84/68/27/932846827.db2.gz RVOIGWRHPXZRHP-AWEZNQCLSA-N 0 1 403.442 4.281 20 5 HIBDMN Cc1ccc2nc([C@H]3CCCN(C(=O)c4c[nH]c5cccc([N+](=O)[O-])c45)C3)[nH]c2c1 ZINC000534983763 932875479 /nfs/dbraw/zinc/87/54/79/932875479.db2.gz YPAVHCFWBKDACN-AWEZNQCLSA-N 0 1 403.442 4.281 20 5 HIBDMN Cc1ccc2[nH]c([C@@H]3CCCN(Cc4nc(-c5ccc([N+](=O)[O-])cc5)no4)C3)nc2c1 ZINC000535665714 933310239 /nfs/dbraw/zinc/31/02/39/933310239.db2.gz LPCHLTMHNRIESJ-MRXNPFEDSA-N 0 1 418.457 4.209 20 5 HIBDMN Cc1ccc2nc([C@@H]3CCCN(Cc4nc(-c5ccc([N+](=O)[O-])cc5)no4)C3)[nH]c2c1 ZINC000535665714 933310252 /nfs/dbraw/zinc/31/02/52/933310252.db2.gz LPCHLTMHNRIESJ-MRXNPFEDSA-N 0 1 418.457 4.209 20 5 HIBDMN Cc1ccc2[nH]c([C@H]3CCCN(Cc4nnc(-c5ccc([N+](=O)[O-])cc5)o4)C3)nc2c1 ZINC000535666824 933312148 /nfs/dbraw/zinc/31/21/48/933312148.db2.gz ZHVLORMUCFXSPA-INIZCTEOSA-N 0 1 418.457 4.209 20 5 HIBDMN Cc1ccc2nc([C@H]3CCCN(Cc4nnc(-c5ccc([N+](=O)[O-])cc5)o4)C3)[nH]c2c1 ZINC000535666824 933312161 /nfs/dbraw/zinc/31/21/61/933312161.db2.gz ZHVLORMUCFXSPA-INIZCTEOSA-N 0 1 418.457 4.209 20 5 HIBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535682580 933336796 /nfs/dbraw/zinc/33/67/96/933336796.db2.gz VTQKRQKLIKRKCQ-IFXJQAMLSA-N 0 1 405.857 4.119 20 5 HIBDMN COc1cccc([C@H](CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)N2CCCC2)c1 ZINC000537650514 938347147 /nfs/dbraw/zinc/34/71/47/938347147.db2.gz GRKGVWSRZJVLRT-FQEVSTJZSA-N 0 1 411.502 4.096 20 5 HIBDMN CCOc1ccc([C@@H](C)N[C@H]2CCN(c3ccccc3Cl)C2=O)cc1[N+](=O)[O-] ZINC000537968265 938438707 /nfs/dbraw/zinc/43/87/07/938438707.db2.gz YKZIZBFDCXFSHD-CJNGLKHVSA-N 0 1 403.866 4.103 20 5 HIBDMN C[C@@H](N[C@@H](C)c1ccc(OCc2cccnc2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000538124640 938511039 /nfs/dbraw/zinc/51/10/39/938511039.db2.gz HIHQZERUBMGDTP-DLBZAZTESA-N 0 1 420.469 4.247 20 5 HIBDMN Cc1ccc([C@H](C)NCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1[N+](=O)[O-] ZINC000538278300 938581999 /nfs/dbraw/zinc/58/19/99/938581999.db2.gz RNNRGFRSPIAVFY-ZDUSSCGKSA-N 0 1 414.462 4.455 20 5 HIBDMN Cc1ccc(NC(=O)N2CCC[C@H](c3nnc(-c4ccccc4)[nH]3)C2)cc1[N+](=O)[O-] ZINC000538661592 938677222 /nfs/dbraw/zinc/67/72/22/938677222.db2.gz HLEYJBJIXABAET-INIZCTEOSA-N 0 1 406.446 4.100 20 5 HIBDMN COCCOC[C@H]1CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000538721503 938690821 /nfs/dbraw/zinc/69/08/21/938690821.db2.gz NZPNYMHWXFRANW-KRWDZBQOSA-N 0 1 404.438 4.011 20 5 HIBDMN CCOC[C@@H]1CCN(Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000538762408 938704144 /nfs/dbraw/zinc/70/41/44/938704144.db2.gz OIRSJEMJKHQJIW-GOSISDBHSA-N 0 1 400.475 4.041 20 5 HIBDMN C[C@H](c1cccc(F)c1)N1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000538782595 938709185 /nfs/dbraw/zinc/70/91/85/938709185.db2.gz UTQXFFKNASELKC-QGZVFWFLSA-N 0 1 424.476 4.310 20 5 HIBDMN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccccc3-c3nnc[nH]3)cc2[N+](=O)[O-])C1 ZINC000538897827 938733235 /nfs/dbraw/zinc/73/32/35/938733235.db2.gz DVPYYEHMEXZBBB-GASCZTMLSA-N 0 1 420.473 4.115 20 5 HIBDMN CC[C@H](N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)OCCO2 ZINC000539277929 938832097 /nfs/dbraw/zinc/83/20/97/938832097.db2.gz XAMMZMSATURFJZ-WBMJQRKESA-N 0 1 419.865 4.087 20 5 HIBDMN Cc1ccc([C@H](C)NCC(=O)N(Cc2ccccc2)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000539381984 938852080 /nfs/dbraw/zinc/85/20/80/938852080.db2.gz YAFRSZSMHHTGEG-HNNXBMFYSA-N 0 1 409.408 4.145 20 5 HIBDMN CCC[C@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCN1Cc1ccccc1 ZINC000539424056 938858551 /nfs/dbraw/zinc/85/85/51/938858551.db2.gz LRQOWCORPSIUCV-NRFANRHFSA-N 0 1 421.501 4.131 20 5 HIBDMN CCOc1cc(Cl)ccc1CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000539527969 938873649 /nfs/dbraw/zinc/87/36/49/938873649.db2.gz FRJPCEHJEXHWJW-UHFFFAOYSA-N 0 1 400.866 4.337 20 5 HIBDMN CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539723565 938913450 /nfs/dbraw/zinc/91/34/50/938913450.db2.gz IGMJKLQICRLSFW-QFBILLFUSA-N 0 1 421.856 4.047 20 5 HIBDMN CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539723565 938913451 /nfs/dbraw/zinc/91/34/51/938913451.db2.gz IGMJKLQICRLSFW-QFBILLFUSA-N 0 1 421.856 4.047 20 5 HIBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000540328018 939196578 /nfs/dbraw/zinc/19/65/78/939196578.db2.gz KUHKKAGLQWUKBI-KRWDZBQOSA-N 0 1 420.469 4.167 20 5 HIBDMN C[C@@H](N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000540714008 939345842 /nfs/dbraw/zinc/34/58/42/939345842.db2.gz QIOOPMWRSPZBAC-RDTXWAMCSA-N 0 1 421.419 4.455 20 5 HIBDMN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3nnc(-c4ccccc4)[nH]3)C2)c1 ZINC000540850715 939393944 /nfs/dbraw/zinc/39/39/44/939393944.db2.gz MGVLLKXJSRXDMG-OAHLLOKOSA-N 0 1 423.498 4.122 20 5 HIBDMN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000563693014 945252393 /nfs/dbraw/zinc/25/23/93/945252393.db2.gz PQRLSKDREWESAW-OAHLLOKOSA-N 0 1 407.392 4.008 20 5 HIBDMN O=[N+]([O-])c1cc(CNC[C@H]2CCCCS2(=O)=O)ccc1Oc1ccccc1Cl ZINC000541383108 939502139 /nfs/dbraw/zinc/50/21/39/939502139.db2.gz PDJVIOQAVUHMDB-OAHLLOKOSA-N 0 1 424.906 4.097 20 5 HIBDMN Cc1cc([C@@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c(C)s1 ZINC000541580691 939559705 /nfs/dbraw/zinc/55/97/05/939559705.db2.gz XXJSLEMXCCGSFV-SNVBAGLBSA-N 0 1 412.309 4.325 20 5 HIBDMN CC[C@@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1nc(C(F)(F)F)cs1 ZINC000541630902 939576394 /nfs/dbraw/zinc/57/63/94/939576394.db2.gz IIWIVWSWIDTPBD-GFCCVEGCSA-N 0 1 416.425 4.448 20 5 HIBDMN Cc1ccc(CN2CCSCC2)cc1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000542191982 939750799 /nfs/dbraw/zinc/75/07/99/939750799.db2.gz BEPPNYSDNVTGQU-UHFFFAOYSA-N 0 1 417.556 4.183 20 5 HIBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@H](c3ncc[nH]3)C2)cc1OC ZINC000542915964 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CCN(CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)c1ccco1 ZINC000565127139 945781394 /nfs/dbraw/zinc/78/13/94/945781394.db2.gz DCFHYHQBUNLGIH-MRXNPFEDSA-N 0 1 424.295 4.072 20 5 HIBDMN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN(C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000565334393 945814805 /nfs/dbraw/zinc/81/48/05/945814805.db2.gz MAZOIJULIKUPPG-RBBKRZOGSA-N 0 1 424.501 4.265 20 5 HIBDMN CCS(=O)(=O)c1ccc([C@@H](C)NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000565824388 945890751 /nfs/dbraw/zinc/89/07/51/945890751.db2.gz KSMYIXCRMXFSTQ-OAHLLOKOSA-N 0 1 414.483 4.499 20 5 HIBDMN O=c1c2ccccc2[nH]c2ccc(-c3nc(Cc4nnc(-c5ccccc5)[nH]4)no3)cc21 ZINC000566763520 946091900 /nfs/dbraw/zinc/09/19/00/946091900.db2.gz ZEIIYAQEFVGXKU-UHFFFAOYSA-N 0 1 420.432 4.107 20 5 HIBDMN Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000569886914 947036475 /nfs/dbraw/zinc/03/64/75/947036475.db2.gz KFQHYSLVUXBYHB-UHFFFAOYSA-N 0 1 400.192 4.259 20 5 HIBDMN COc1ccc(-c2nsc(NC(=O)c3c([N+](=O)[O-])cccc3C(F)(F)F)n2)cc1 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Cc1c(NC(=O)[C@@H](C)N[C@H](C)c2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000029568081 847581082 /nfs/dbraw/zinc/58/10/82/847581082.db2.gz DMIFRTMSOISSKR-CHWSQXEVSA-N 0 1 406.280 4.344 20 5 HIBDMN COc1cc([C@H](C)N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OC(C)C ZINC000030492463 847721586 /nfs/dbraw/zinc/72/15/86/847721586.db2.gz UGERBDHCFHUCOQ-GJZGRUSLSA-N 0 1 401.463 4.068 20 5 HIBDMN COc1cc([C@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1OC(C)C ZINC000030492779 847721608 /nfs/dbraw/zinc/72/16/08/847721608.db2.gz FTBIHGJXVFNAJD-HOTGVXAUSA-N 0 1 415.490 4.377 20 5 HIBDMN COc1cc([C@@H](C)N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OC(C)C ZINC000030492464 847721651 /nfs/dbraw/zinc/72/16/51/847721651.db2.gz UGERBDHCFHUCOQ-HUUCEWRRSA-N 0 1 401.463 4.068 20 5 HIBDMN O=[N+]([O-])c1cccc(-c2noc(CSc3n[nH]c(CCC4CCCC4)n3)n2)c1 ZINC000031850437 847959288 /nfs/dbraw/zinc/95/92/88/847959288.db2.gz BRXHJRIPQSDROK-UHFFFAOYSA-N 0 1 400.464 4.178 20 5 HIBDMN O=[N+]([O-])c1cccc(-c2noc(CSc3nc(CCC4CCCC4)n[nH]3)n2)c1 ZINC000031850437 847959300 /nfs/dbraw/zinc/95/93/00/847959300.db2.gz BRXHJRIPQSDROK-UHFFFAOYSA-N 0 1 400.464 4.178 20 5 HIBDMN CCOc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC ZINC000043301770 848406781 /nfs/dbraw/zinc/40/67/81/848406781.db2.gz OBYAFZWCLFJKCS-CABCVRRESA-N 0 1 401.463 4.070 20 5 HIBDMN CCCOc1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000056161984 850264098 /nfs/dbraw/zinc/26/40/98/850264098.db2.gz NGJNAXDKKVZKJB-LSDHHAIUSA-N 0 1 401.463 4.070 20 5 HIBDMN CCCOc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000056161981 850264934 /nfs/dbraw/zinc/26/49/34/850264934.db2.gz NGJNAXDKKVZKJB-CABCVRRESA-N 0 1 401.463 4.070 20 5 HIBDMN COc1ccccc1[C@@H](CNc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1)N(C)C ZINC000060858313 851233045 /nfs/dbraw/zinc/23/30/45/851233045.db2.gz YIGQHNLSFBLKFY-LJQANCHMSA-N 0 1 407.474 4.084 20 5 HIBDMN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000064721585 851967950 /nfs/dbraw/zinc/96/79/50/851967950.db2.gz JCTVARSCTPRTEB-CZUORRHYSA-N 0 1 423.922 4.030 20 5 HIBDMN CCN(CC)[C@H](CNc1ccc(C(=O)NC)cc1[N+](=O)[O-])c1ccccc1Cl ZINC000064904820 852017138 /nfs/dbraw/zinc/01/71/38/852017138.db2.gz JDDXKVMEFCUDEU-LJQANCHMSA-N 0 1 404.898 4.103 20 5 HIBDMN CC(C)c1nnc(-c2ccccc2NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)[nH]1 ZINC000065876424 852297432 /nfs/dbraw/zinc/29/74/32/852297432.db2.gz HYVDBVBXRQSRMH-UHFFFAOYSA-N 0 1 404.430 4.097 20 5 HIBDMN COc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1Br ZINC000096956040 852563480 /nfs/dbraw/zinc/56/34/80/852563480.db2.gz WNXLLSHCDGMHNL-RYUDHWBXSA-N 0 1 422.279 4.044 20 5 HIBDMN Cc1c(CN2CCSCC2)cccc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000109498197 852977181 /nfs/dbraw/zinc/97/71/81/852977181.db2.gz GKZJEFOPFVJTIO-UHFFFAOYSA-N 0 1 417.556 4.183 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H](C)c1ccccc1C(F)(F)F ZINC000140349598 853443088 /nfs/dbraw/zinc/44/30/88/853443088.db2.gz BARHCECFPXMXDZ-NWDGAFQWSA-N 0 1 411.380 4.300 20 5 HIBDMN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H](CC(F)(F)F)c1ccccc1 ZINC000146926322 853578556 /nfs/dbraw/zinc/57/85/56/853578556.db2.gz CMMRCXVMOJYYPZ-LBPRGKRZSA-N 0 1 408.785 4.220 20 5 HIBDMN COc1ccc(-c2ccc(CNCc3cccc(Cn4ccnc4)c3)o2)c([N+](=O)[O-])c1 ZINC000237421607 854029825 /nfs/dbraw/zinc/02/98/25/854029825.db2.gz WTLAYSBVARAXSP-UHFFFAOYSA-N 0 1 418.453 4.398 20 5 HIBDMN COc1ccc(-c2ccc(CNCc3ccc(-n4ccnc4)c(F)c3)o2)c([N+](=O)[O-])c1 ZINC000237420839 854029917 /nfs/dbraw/zinc/02/99/17/854029917.db2.gz NASYXLVLRHWPSJ-UHFFFAOYSA-N 0 1 422.416 4.478 20 5 HIBDMN CS(=O)(=O)c1cccc([C@H](NC/C=C/c2ccccc2[N+](=O)[O-])c2ccccc2)c1 ZINC000237472588 854040212 /nfs/dbraw/zinc/04/02/12/854040212.db2.gz HPMWCSBVBKAEDN-IYJBSMEOSA-N 0 1 422.506 4.391 20 5 HIBDMN O=C(CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)Nc1ccc(F)c(F)c1F ZINC000237845641 854107273 /nfs/dbraw/zinc/10/72/73/854107273.db2.gz RPSHKSXCFKVRCZ-UHFFFAOYSA-N 0 1 421.400 4.469 20 5 HIBDMN O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3CCN(c4ccc(F)cc4F)C3)cs2)c1 ZINC000237863711 854110874 /nfs/dbraw/zinc/11/08/74/854110874.db2.gz LGCYBKOBKWLZST-OAHLLOKOSA-N 0 1 416.453 4.365 20 5 HIBDMN O=[N+]([O-])c1cccc(-c2nc(CNCCc3nc4c(s3)CCCC4)cs2)c1 ZINC000238006973 854132635 /nfs/dbraw/zinc/13/26/35/854132635.db2.gz HJBHDTUJKAZZLR-UHFFFAOYSA-N 0 1 400.529 4.386 20 5 HIBDMN Cc1cc(NCc2ccc(Cn3ccccc3=O)cc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302205594 854549688 /nfs/dbraw/zinc/54/96/88/854549688.db2.gz WVMCZAPNBFKCBX-UHFFFAOYSA-N 0 1 400.438 4.274 20 5 HIBDMN COc1ccc(-c2n[nH]c(Sc3ccc([N+](=O)[O-])cc3)n2)cc1Br ZINC000302679186 854602927 /nfs/dbraw/zinc/60/29/27/854602927.db2.gz OFJOJCPSJIVEMW-UHFFFAOYSA-N 0 1 407.249 4.302 20 5 HIBDMN Cc1nc(C[NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)sc1C(=O)[O-] ZINC000426701017 856420518 /nfs/dbraw/zinc/42/05/18/856420518.db2.gz XBZBUOOOYLLTKR-UHFFFAOYSA-N 0 1 412.471 4.116 20 5 HIBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000430194568 858076382 /nfs/dbraw/zinc/07/63/82/858076382.db2.gz JWSJJBFLYPAHQZ-MRXNPFEDSA-N 0 1 412.421 4.172 20 5 HIBDMN CCCN(C(=O)c1cccs1)C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000431136927 858464788 /nfs/dbraw/zinc/46/47/88/858464788.db2.gz GUDGMMRSLMAHFG-UHFFFAOYSA-N 0 1 417.531 4.052 20 5 HIBDMN CSC1(CN[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 ZINC000432514563 859203847 /nfs/dbraw/zinc/20/38/47/859203847.db2.gz MQJDHTQRNYHCRM-KRWDZBQOSA-N 0 1 405.907 4.413 20 5 HIBDMN CC(C)[C@@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1cccnc1 ZINC000433742557 859869627 /nfs/dbraw/zinc/86/96/27/859869627.db2.gz PHLHZUBHDNORBG-CYBMUJFWSA-N 0 1 418.302 4.015 20 5 HIBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000435636274 860928707 /nfs/dbraw/zinc/92/87/07/860928707.db2.gz IZZUIKWQDPJKOB-UHFFFAOYSA-N 0 1 406.486 4.263 20 5 HIBDMN CSc1ccc([C@@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000439474561 864844501 /nfs/dbraw/zinc/84/45/01/864844501.db2.gz XKPUZTNCHOTVSW-LLVKDONJSA-N 0 1 424.320 4.369 20 5 HIBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)CCCOCc1ccccc1 ZINC000439479259 864846814 /nfs/dbraw/zinc/84/68/14/864846814.db2.gz RISPJRPEQGTUGC-OAHLLOKOSA-N 0 1 405.882 4.114 20 5 HIBDMN Cc1ccc(NC(=O)[C@H](N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000439629549 864954943 /nfs/dbraw/zinc/95/49/43/864954943.db2.gz AINXZHULPVOINC-UPZYVNNASA-N 0 1 423.513 4.376 20 5 HIBDMN COc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(Sc3ccc(C)cc3)ns2)c1 ZINC000440315671 865585066 /nfs/dbraw/zinc/58/50/66/865585066.db2.gz LTMGRKOILDTICB-UHFFFAOYSA-N 0 1 402.457 4.167 20 5 HIBDMN O=[N+]([O-])c1ccccc1OCCN1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441071048 866159239 /nfs/dbraw/zinc/15/92/39/866159239.db2.gz PXZLWYJMMKSYNN-GFCCVEGCSA-N 0 1 401.410 4.329 20 5 HIBDMN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)c1 ZINC000441529213 866606374 /nfs/dbraw/zinc/60/63/74/866606374.db2.gz IIOJTVHDKYWZMJ-KRWDZBQOSA-N 0 1 400.822 4.110 20 5 HIBDMN CC(C)c1nc([C@H](C)NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000442636373 867578903 /nfs/dbraw/zinc/57/89/03/867578903.db2.gz IAKNPMPUVDZICR-ZDUSSCGKSA-N 0 1 411.487 4.479 20 5 HIBDMN CCc1[nH]nc(C(=O)N(C)[C@H](C)c2sc(-c3ccc(C)cc3)nc2C)c1[N+](=O)[O-] ZINC000444263897 868706221 /nfs/dbraw/zinc/70/62/21/868706221.db2.gz YAFILLWAKDNCQC-CYBMUJFWSA-N 0 1 413.503 4.454 20 5 HIBDMN CCc1[nH]nc(C(=O)N(Cc2ccco2)Cc2cc3cc(C)ccc3o2)c1[N+](=O)[O-] ZINC000444264346 868706537 /nfs/dbraw/zinc/70/65/37/868706537.db2.gz YZRDHOKWWHYUDT-UHFFFAOYSA-N 0 1 408.414 4.371 20 5 HIBDMN CCc1[nH]nc(C(=O)Nc2ccc3nc(-c4ccccc4Cl)[nH]c3c2)c1[N+](=O)[O-] ZINC000444326328 868754786 /nfs/dbraw/zinc/75/47/86/868754786.db2.gz BTPRPWHLTOXRBS-UHFFFAOYSA-N 0 1 410.821 4.329 20 5 HIBDMN CCc1[nH]nc(C(=O)N2CC[C@H](c3ccccc3)[C@@H]2c2cccc(OC)c2)c1[N+](=O)[O-] ZINC000444367507 868793484 /nfs/dbraw/zinc/79/34/84/868793484.db2.gz INRCMACOTQFHFF-NQIIRXRSSA-N 0 1 420.469 4.260 20 5 HIBDMN COc1ccc(OCCN[C@@H](C)c2nc3ccccc3n2C(F)F)c([N+](=O)[O-])c1 ZINC000444680960 868955115 /nfs/dbraw/zinc/95/51/15/868955115.db2.gz XVHBONPWGALXFM-LBPRGKRZSA-N 0 1 406.389 4.078 20 5 HIBDMN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444828991 869037764 /nfs/dbraw/zinc/03/77/64/869037764.db2.gz PQXVDKQTSLGTQX-HSZRJFAPSA-N 0 1 411.505 4.248 20 5 HIBDMN O=C(Nc1nc(-c2ccccc2Cl)n[nH]1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444858388 869060611 /nfs/dbraw/zinc/06/06/11/869060611.db2.gz MMYPSQSOODICSA-UHFFFAOYSA-N 0 1 415.840 4.372 20 5 HIBDMN Cc1cc(CC(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)[nH]n1 ZINC000446307361 870233489 /nfs/dbraw/zinc/23/34/89/870233489.db2.gz HUVUVOQMMDWANC-UHFFFAOYSA-N 0 1 418.812 4.070 20 5 HIBDMN CCc1ccc([C@H](N[C@@H]2CCCN(c3cc(C)nn3C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000447549177 871424757 /nfs/dbraw/zinc/42/47/57/871424757.db2.gz DCGWPMIDAPDXGE-WZONZLPQSA-N 0 1 423.517 4.140 20 5 HIBDMN CC[C@H](NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000447554416 871436714 /nfs/dbraw/zinc/43/67/14/871436714.db2.gz VQXBKCUXTHIMDG-INIZCTEOSA-N 0 1 416.421 4.258 20 5 HIBDMN CN(C)[C@H]1CCOc2c(NC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)cccc21 ZINC000447730674 871679617 /nfs/dbraw/zinc/67/96/17/871679617.db2.gz QQKHZCQROGDMCL-NRFANRHFSA-N 0 1 413.477 4.319 20 5 HIBDMN CCOC(=O)c1csc(CCN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)n1 ZINC000468840906 882885729 /nfs/dbraw/zinc/88/57/29/882885729.db2.gz CZYNOMUGTSWDMZ-FQEVSTJZSA-N 0 1 411.483 4.150 20 5 HIBDMN COc1cc(S(=O)(=O)Nc2cccc(COC(C)(C)C)c2C)ccc1[N+](=O)[O-] ZINC000468902898 882957303 /nfs/dbraw/zinc/95/73/03/882957303.db2.gz JHWBIXSDZIOMTL-UHFFFAOYSA-N 0 1 408.476 4.028 20 5 HIBDMN O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463093667 876126369 /nfs/dbraw/zinc/12/63/69/876126369.db2.gz NFYUQXZPUIADSR-INIZCTEOSA-N 0 1 407.392 4.008 20 5 HIBDMN COc1cc([N+](=O)[O-])ccc1-c1nc(-c2ccc3[nH]c(-c4cscn4)nc3c2)no1 ZINC000463163901 876218446 /nfs/dbraw/zinc/21/84/46/876218446.db2.gz DVMLHXQRCVWBSX-UHFFFAOYSA-N 0 1 420.410 4.320 20 5 HIBDMN Cc1ccc(CCN(CC(F)(F)F)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)cc1 ZINC000463941537 877061886 /nfs/dbraw/zinc/06/18/86/877061886.db2.gz UMDGMZWZHPKVKK-UHFFFAOYSA-N 0 1 406.364 4.027 20 5 HIBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)c(C(C)C)o2)c1[N+](=O)[O-] ZINC000464077386 877228057 /nfs/dbraw/zinc/22/80/57/877228057.db2.gz QMEFERQVZNTTSX-OAHLLOKOSA-N 0 1 409.446 4.382 20 5 HIBDMN CCS(=O)(=O)c1cccc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)c1 ZINC000466390661 880152473 /nfs/dbraw/zinc/15/24/73/880152473.db2.gz IVSYTFUTFORWMM-UHFFFAOYSA-N 0 1 416.524 4.407 20 5 HIBDMN Cc1c([C@H](C)N[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cccc1[N+](=O)[O-] ZINC000469100961 883191024 /nfs/dbraw/zinc/19/10/24/883191024.db2.gz UEBNFZVUCLRIJF-IFXJQAMLSA-N 0 1 403.429 4.023 20 5 HIBDMN CC[C@H](N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000469274400 883372672 /nfs/dbraw/zinc/37/26/72/883372672.db2.gz WELZTDJOTXMEFY-VQTJNVASSA-N 0 1 403.429 4.105 20 5 HIBDMN CN1CC[C@@H](CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000470127519 884390209 /nfs/dbraw/zinc/39/02/09/884390209.db2.gz COPCRSKSARJWRI-KPZWWZAWSA-N 0 1 424.835 4.341 20 5 HIBDMN O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000470634960 885060335 /nfs/dbraw/zinc/06/03/35/885060335.db2.gz RYJZJTHWJBMKLD-SFHVURJKSA-N 0 1 413.865 4.214 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000471077487 885602420 /nfs/dbraw/zinc/60/24/20/885602420.db2.gz RYAJZPICCHAYDI-QHCPKHFHSA-N 0 1 420.469 4.015 20 5 HIBDMN Cc1ccc([C@H](NCCC(=O)Nc2cccc([N+](=O)[O-])c2C)c2ccccn2)cc1 ZINC000471078112 885603774 /nfs/dbraw/zinc/60/37/74/885603774.db2.gz VMBJXNOYIZLBSN-QHCPKHFHSA-N 0 1 404.470 4.314 20 5 HIBDMN Cc1ccc([C@H](NCCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c2ccccn2)cc1 ZINC000471082683 885609344 /nfs/dbraw/zinc/60/93/44/885609344.db2.gz YIWGLICMQFTMSQ-QHCPKHFHSA-N 0 1 404.470 4.314 20 5 HIBDMN CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)c2ccccc12 ZINC000473761407 888555176 /nfs/dbraw/zinc/55/51/76/888555176.db2.gz CPNNAQFGFOJARE-UHFFFAOYSA-N 0 1 413.455 4.124 20 5 HIBDMN Cc1cc(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)ccc1[N+](=O)[O-] ZINC000473791664 888606666 /nfs/dbraw/zinc/60/66/66/888606666.db2.gz YUUIYMKBHFTQSB-MRXNPFEDSA-N 0 1 412.494 4.481 20 5 HIBDMN CCCN(C(=O)c1cccc([N+](=O)[O-])c1OC)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000475469079 890377753 /nfs/dbraw/zinc/37/77/53/890377753.db2.gz PONNZZQEUMVWBP-IBGZPJMESA-N 0 1 411.502 4.120 20 5 HIBDMN CCN(C(=O)Cc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC000475601268 890527763 /nfs/dbraw/zinc/52/77/63/890527763.db2.gz MUDRLVUPCQRKOD-UHFFFAOYSA-N 0 1 419.437 4.148 20 5 HIBDMN CC[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@]2(CCOC2)O1 ZINC000475628183 890566730 /nfs/dbraw/zinc/56/67/30/890566730.db2.gz ZUHWENRATKTREY-QRWLVFNGSA-N 0 1 406.866 4.278 20 5 HIBDMN COc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2cc3cccc(F)c3o2)c([N+](=O)[O-])c1 ZINC000475692100 890632072 /nfs/dbraw/zinc/63/20/72/890632072.db2.gz GAXMBMUZTROJRE-NWDGAFQWSA-N 0 1 401.394 4.167 20 5 HIBDMN CCCN(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000504993590 913737049 /nfs/dbraw/zinc/73/70/49/913737049.db2.gz DQBIRIZSQUOJJX-FQEVSTJZSA-N 0 1 411.502 4.120 20 5 HIBDMN CCCN(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000504993590 913737064 /nfs/dbraw/zinc/73/70/64/913737064.db2.gz DQBIRIZSQUOJJX-FQEVSTJZSA-N 0 1 411.502 4.120 20 5 HIBDMN COc1cc(C(=O)N2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)cc([N+](=O)[O-])c1C ZINC000478329293 893562090 /nfs/dbraw/zinc/56/20/90/893562090.db2.gz LLXSAKVXBQYINB-HNNXBMFYSA-N 0 1 408.458 4.116 20 5 HIBDMN O=C(Nc1ccn(-c2ccncc2)n1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000505101829 913817698 /nfs/dbraw/zinc/81/76/98/913817698.db2.gz BNJSOKIUHGMEBS-UHFFFAOYSA-N 0 1 400.398 4.171 20 5 HIBDMN CC(C)c1[nH]nc(C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)c1[N+](=O)[O-] ZINC000478791210 894066834 /nfs/dbraw/zinc/06/68/34/894066834.db2.gz WZQURJPWLZXVAF-UHFFFAOYSA-N 0 1 410.818 4.005 20 5 HIBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Oc3ccccn3)cc2)c(Cl)c1 ZINC000505287160 913946945 /nfs/dbraw/zinc/94/69/45/913946945.db2.gz IKECEIWUAVKQKC-UHFFFAOYSA-N 0 1 405.819 4.236 20 5 HIBDMN C[C@H](NCc1cccnc1N1CCOCC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000480534887 895897865 /nfs/dbraw/zinc/89/78/65/895897865.db2.gz HMSCAULFQUXISL-INIZCTEOSA-N 0 1 424.526 4.406 20 5 HIBDMN CCOC(=O)c1cc2cc(S(=O)(=O)Nc3ccc([N+](=O)[O-])cc3C)ccc2s1 ZINC000481829685 897198240 /nfs/dbraw/zinc/19/82/40/897198240.db2.gz HFDZYYJWNKQUAU-UHFFFAOYSA-N 0 1 420.468 4.095 20 5 HIBDMN O=C(Nc1nc(-c2ccccc2F)co1)c1sc(Br)cc1[N+](=O)[O-] ZINC000482138141 897597531 /nfs/dbraw/zinc/59/75/31/897597531.db2.gz BSBDNVFCSJXTMD-UHFFFAOYSA-N 0 1 412.196 4.465 20 5 HIBDMN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000505496372 914182360 /nfs/dbraw/zinc/18/23/60/914182360.db2.gz RTENQLBYVRCSPZ-SFHVURJKSA-N 0 1 405.495 4.269 20 5 HIBDMN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000482412986 897957722 /nfs/dbraw/zinc/95/77/22/897957722.db2.gz HVIADLZVLRAZKO-KRWDZBQOSA-N 0 1 407.561 4.437 20 5 HIBDMN Cc1ccc([C@@H](C)NCc2cccc(NC(=O)NCc3ccncc3)c2)cc1[N+](=O)[O-] ZINC000482941094 898563418 /nfs/dbraw/zinc/56/34/18/898563418.db2.gz AOHOEWCQTFNCTN-QGZVFWFLSA-N 0 1 419.485 4.471 20 5 HIBDMN COc1ccc(-c2csc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)n2)cc1Cl ZINC000505729056 914409104 /nfs/dbraw/zinc/40/91/04/914409104.db2.gz IMHXHASZWJQWKH-UHFFFAOYSA-N 0 1 405.819 4.338 20 5 HIBDMN Cc1cccc(O[C@H]2CCCC[C@H]2NCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000484648122 900093002 /nfs/dbraw/zinc/09/30/02/900093002.db2.gz CPGONTVMQACHCS-UXHICEINSA-N 0 1 408.458 4.433 20 5 HIBDMN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(Cc2ccc([N+](=O)[O-])c(OC)c2)[C@@H]2CCCC[C@@H]12 ZINC000490005088 903721585 /nfs/dbraw/zinc/72/15/85/903721585.db2.gz OLRBUACCAGBVCM-FLFBIERCSA-N 0 1 417.550 4.287 20 5 HIBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cc(Br)ccc1Cl ZINC000490401079 903985715 /nfs/dbraw/zinc/98/57/15/903985715.db2.gz RVZOZFNJEKWDGU-UHFFFAOYSA-N 0 1 422.626 4.048 20 5 HIBDMN O=[N+]([O-])c1cccc(-c2nc(CN3CCC[C@H](c4nnc5ccccn54)C3)cs2)c1 ZINC000506127333 914814495 /nfs/dbraw/zinc/81/44/95/914814495.db2.gz ZFEGDCIGWAKFRT-INIZCTEOSA-N 0 1 420.498 4.141 20 5 HIBDMN COCCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000506196410 914841140 /nfs/dbraw/zinc/84/11/40/914841140.db2.gz YKJHBQOPZORMIK-GFCCVEGCSA-N 0 1 412.364 4.169 20 5 HIBDMN COc1ccc(C[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c2ccccc2)cc1OC ZINC000506210494 914846518 /nfs/dbraw/zinc/84/65/18/914846518.db2.gz NTYKBHGERKEZSJ-HXUWFJFHSA-N 0 1 422.437 4.031 20 5 HIBDMN CCOc1cc(CN[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000492872396 904931498 /nfs/dbraw/zinc/93/14/98/904931498.db2.gz KUFWNGKGDHHTSZ-KRWDZBQOSA-N 0 1 421.379 4.010 20 5 HIBDMN Cc1c(NC(=O)[C@H](C)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000494493582 905779822 /nfs/dbraw/zinc/77/98/22/905779822.db2.gz JEUMAANEDADRDW-IRWQIABSSA-N 0 1 403.866 4.003 20 5 HIBDMN Cc1cc(C[C@H](C)NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)n[nH]1 ZINC000494803502 906004675 /nfs/dbraw/zinc/00/46/75/906004675.db2.gz FWVMNGWWRWIGGV-LBPRGKRZSA-N 0 1 414.849 4.433 20 5 HIBDMN COc1cccc(C2=CCN(Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000512710492 921293622 /nfs/dbraw/zinc/29/36/22/921293622.db2.gz UDLOSIAJULMEFK-UHFFFAOYSA-N 0 1 404.470 4.293 20 5 HIBDMN COc1ccc(CN2CCC[C@@H](n3cccn3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000513117239 921563690 /nfs/dbraw/zinc/56/36/90/921563690.db2.gz QVLUNLDBXOIZQF-OAQYLSRUSA-N 0 1 422.485 4.216 20 5 HIBDMN COC(=O)C[C@](C)(NCc1cccc([N+](=O)[O-])c1C)c1ccc(Br)cc1 ZINC000513129582 921573565 /nfs/dbraw/zinc/57/35/65/921573565.db2.gz ZOYFJTFEHWJYCU-IBGZPJMESA-N 0 1 421.291 4.234 20 5 HIBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(OCc3ccc(F)cc3)c2)cc1 ZINC000502022032 910982273 /nfs/dbraw/zinc/98/22/73/910982273.db2.gz XSPDKJHVKJFOEX-UHFFFAOYSA-N 0 1 402.403 4.114 20 5 HIBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000502354429 911333242 /nfs/dbraw/zinc/33/32/42/911333242.db2.gz OKQZNCGOIAWOOX-NVXWUHKLSA-N 0 1 411.506 4.387 20 5 HIBDMN O=C(Nc1cccc(C[S@@](=O)Cc2ccccc2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506475304 915072980 /nfs/dbraw/zinc/07/29/80/915072980.db2.gz VEQWRDGFGJRWGE-LJAQVGFWSA-N 0 1 410.451 4.002 20 5 HIBDMN COc1cc(OC)c(OC)cc1CN(Cc1ccc(OC)c([N+](=O)[O-])c1)C(C)(C)C ZINC000506617193 915273516 /nfs/dbraw/zinc/27/35/16/915273516.db2.gz OQJGHFJLNDURGV-UHFFFAOYSA-N 0 1 418.490 4.430 20 5 HIBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000507287785 916054719 /nfs/dbraw/zinc/05/47/19/916054719.db2.gz ZIKDGRYVLFHGNM-LJQANCHMSA-N 0 1 416.441 4.229 20 5 HIBDMN COc1cc(CN2CCC(n3c(C)ccc3C)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000507315887 916076853 /nfs/dbraw/zinc/07/68/53/916076853.db2.gz KYEKNHSXOMFVGM-UHFFFAOYSA-N 0 1 409.433 4.460 20 5 HIBDMN O=C(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507363125 916118720 /nfs/dbraw/zinc/11/87/20/916118720.db2.gz PMPXLIBFSJMUBJ-CYBMUJFWSA-N 0 1 408.254 4.353 20 5 HIBDMN Cc1cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000507381602 916142874 /nfs/dbraw/zinc/14/28/74/916142874.db2.gz NIUMMJFPJCQCNA-UHFFFAOYSA-N 0 1 407.213 4.354 20 5 HIBDMN C[C@H](NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)C(=O)NCc1ccccc1 ZINC000507947639 916810933 /nfs/dbraw/zinc/81/09/33/916810933.db2.gz FFCCQLWECKDQML-SFHVURJKSA-N 0 1 418.497 4.157 20 5 HIBDMN O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000509355346 918019515 /nfs/dbraw/zinc/01/95/15/918019515.db2.gz CHQBWPCQJSEBLN-GIZXNFQBSA-N 0 1 400.866 4.007 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC=C(c2ccccc2Cl)CC1 ZINC000509480922 918126709 /nfs/dbraw/zinc/12/67/09/918126709.db2.gz QYXSQXJQRBSNFB-UHFFFAOYSA-N 0 1 415.877 4.375 20 5 HIBDMN COc1ccccc1Oc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1F ZINC000511699921 920365324 /nfs/dbraw/zinc/36/53/24/920365324.db2.gz WPIGOPMZQGPFDV-UHFFFAOYSA-N 0 1 418.402 4.336 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cccc(CN(C)Cc2ccccc2)c1 ZINC000511852006 920574842 /nfs/dbraw/zinc/57/48/42/920574842.db2.gz NQZKLUXZTPTVAZ-UHFFFAOYSA-N 0 1 419.481 4.165 20 5 HIBDMN O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000513699468 922020601 /nfs/dbraw/zinc/02/06/01/922020601.db2.gz NOAXMARSFKEMTB-INIZCTEOSA-N 0 1 418.356 4.176 20 5 HIBDMN O=C(Nc1nc(-c2cccc3ccccc32)n[nH]1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000513733370 922054485 /nfs/dbraw/zinc/05/44/85/922054485.db2.gz QYJBDTVEIJEAIZ-UHFFFAOYSA-N 0 1 414.425 4.360 20 5 HIBDMN CN(C)[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1ccccc1Cl ZINC000515606776 923212671 /nfs/dbraw/zinc/21/26/71/923212671.db2.gz QXTIJHVJEYZIPC-FQEVSTJZSA-N 0 1 416.909 4.199 20 5 HIBDMN C[C@@H](NC(=O)N1CCN(Cc2cccc3ccccc32)CC1)c1cccc([N+](=O)[O-])c1 ZINC000516555511 923794197 /nfs/dbraw/zinc/79/41/97/923794197.db2.gz JXEVNKOUWPSEBU-GOSISDBHSA-N 0 1 418.497 4.336 20 5 HIBDMN CC[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000516786453 923886185 /nfs/dbraw/zinc/88/61/85/923886185.db2.gz DZJLPHWIRZEILE-LBPRGKRZSA-N 0 1 420.821 4.279 20 5 HIBDMN CCCN(C(=O)c1cccs1)C1CCN(Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000517783920 926834961 /nfs/dbraw/zinc/83/49/61/926834961.db2.gz BVAUQICYSBXTKD-UHFFFAOYSA-N 0 1 401.532 4.482 20 5 HIBDMN CC(C)OC[C@@H](CO)N(C)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000518838411 927537995 /nfs/dbraw/zinc/53/79/95/927537995.db2.gz SPJRYFMQMXKJLE-MRXNPFEDSA-N 0 1 408.882 4.258 20 5 HIBDMN COc1ccc(Cl)cc1-c1n[nH]c(SCCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000520014213 928237050 /nfs/dbraw/zinc/23/70/50/928237050.db2.gz VOEXMCIEOZBHPT-UHFFFAOYSA-N 0 1 406.851 4.213 20 5 HIBDMN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000524555111 929684542 /nfs/dbraw/zinc/68/45/42/929684542.db2.gz YRMLRJUXFMONGS-LJQANCHMSA-N 0 1 422.312 4.397 20 5 HIBDMN CNc1ccc(C(=O)Nc2cc(Cl)cc(Br)c2O)cc1[N+](=O)[O-] ZINC000531372271 931034668 /nfs/dbraw/zinc/03/46/68/931034668.db2.gz AGFBYTYGBQVLAH-UHFFFAOYSA-N 0 1 400.616 4.010 20 5 HIBDMN Cc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000531443260 931058679 /nfs/dbraw/zinc/05/86/79/931058679.db2.gz DCKIZDWUKRXIQE-STQMWFEESA-N 0 1 406.280 4.344 20 5 HIBDMN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000531931435 931251076 /nfs/dbraw/zinc/25/10/76/931251076.db2.gz BWNAFBXDAYYFTC-JKSUJKDBSA-N 0 1 405.520 4.037 20 5 HIBDMN Cc1ccc2nc([C@H]3CCCN(C(=O)c4c[nH]c5cc([N+](=O)[O-])ccc45)C3)[nH]c2c1 ZINC000534936857 932846609 /nfs/dbraw/zinc/84/66/09/932846609.db2.gz LYNGUOBDBYSBEF-AWEZNQCLSA-N 0 1 403.442 4.281 20 5 HIBDMN Cc1ccc2[nH]c([C@H]3CCCN(Cc4nc(-c5cccc([N+](=O)[O-])c5)no4)C3)nc2c1 ZINC000534951363 932854783 /nfs/dbraw/zinc/85/47/83/932854783.db2.gz BEONOWMLYZCFCT-INIZCTEOSA-N 0 1 418.457 4.209 20 5 HIBDMN Cc1ccc2nc([C@H]3CCCN(Cc4nc(-c5cccc([N+](=O)[O-])c5)no4)C3)[nH]c2c1 ZINC000534951363 932854785 /nfs/dbraw/zinc/85/47/85/932854785.db2.gz BEONOWMLYZCFCT-INIZCTEOSA-N 0 1 418.457 4.209 20 5 HIBDMN Cc1ccc(C(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000535673414 933321679 /nfs/dbraw/zinc/32/16/79/933321679.db2.gz XTNUHYOUSCKNNN-HNAYVOBHSA-N 0 1 405.857 4.119 20 5 HIBDMN O=[N+]([O-])c1cc(CN[C@H](CO)CC(F)(F)F)ccc1Oc1ccccc1Cl ZINC000536001167 933561162 /nfs/dbraw/zinc/56/11/62/933561162.db2.gz ARUYGMARRYQTNC-LBPRGKRZSA-N 0 1 404.772 4.443 20 5 HIBDMN Cc1nsc(N2CCCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)n1 ZINC000537618902 938335307 /nfs/dbraw/zinc/33/53/07/938335307.db2.gz PKEYGMKWKNEINZ-UHFFFAOYSA-N 0 1 415.544 4.196 20 5 HIBDMN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CCC[C@@H]3COCC[C@@H]32)cc1 ZINC000537689136 938355457 /nfs/dbraw/zinc/35/54/57/938355457.db2.gz HBXCTDJFSQWEKJ-XXBNENTESA-N 0 1 418.497 4.448 20 5 HIBDMN CN(C(=O)CNC1(c2cccc(C(F)(F)F)c2)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000538256666 938575728 /nfs/dbraw/zinc/57/57/28/938575728.db2.gz CLKOSJQZODWXFN-UHFFFAOYSA-N 0 1 407.392 4.245 20 5 HIBDMN Cc1c(CC(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)cccc1[N+](=O)[O-] ZINC000538648294 938672879 /nfs/dbraw/zinc/67/28/79/938672879.db2.gz VPCUQYBENBBOFY-SFHVURJKSA-N 0 1 411.506 4.018 20 5 HIBDMN COCCOC[C@@H]1CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000538721504 938690923 /nfs/dbraw/zinc/69/09/23/938690923.db2.gz NZPNYMHWXFRANW-QGZVFWFLSA-N 0 1 404.438 4.011 20 5 HIBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000539091106 938801111 /nfs/dbraw/zinc/80/11/11/938801111.db2.gz LCXIWRNEEIBACF-KSZLIROESA-N 0 1 411.502 4.003 20 5 HIBDMN C[C@H](NC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000539246544 938825260 /nfs/dbraw/zinc/82/52/60/938825260.db2.gz MZADZMMUPRMLON-HNNXBMFYSA-N 0 1 416.909 4.273 20 5 HIBDMN CC[C@H](N[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000539255347 938827763 /nfs/dbraw/zinc/82/77/63/938827763.db2.gz JQMSNRWPMLOZBV-WFASDCNBSA-N 0 1 423.416 4.273 20 5 HIBDMN Cc1ccc([C@@H](C)NCC(=O)N(Cc2ccccc2)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000539381985 938852190 /nfs/dbraw/zinc/85/21/90/938852190.db2.gz YAFRSZSMHHTGEG-OAHLLOKOSA-N 0 1 409.408 4.145 20 5 HIBDMN COCCOC1CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000539831093 938950957 /nfs/dbraw/zinc/95/09/57/938950957.db2.gz PUCKWTPPZHFHOV-UHFFFAOYSA-N 0 1 404.438 4.154 20 5 HIBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[C@H]3[C@H](O)C(F)(F)F)o2)c(Cl)c1 ZINC000539831336 938951009 /nfs/dbraw/zinc/95/10/09/938951009.db2.gz KNJJIXMECDLFTK-HOCLYGCPSA-N 0 1 404.772 4.396 20 5 HIBDMN CCCO[C@@H]1CCCN(Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000539832560 938952004 /nfs/dbraw/zinc/95/20/04/938952004.db2.gz ULQPNDGTEQDXTI-OAHLLOKOSA-N 0 1 420.428 4.326 20 5 HIBDMN COc1cc(CN[C@H](C)c2ccccc2-n2cccn2)c([N+](=O)[O-])cc1OC(F)F ZINC000540360307 939209360 /nfs/dbraw/zinc/20/93/60/939209360.db2.gz UOTUNXNBMYUGJG-CYBMUJFWSA-N 0 1 418.400 4.241 20 5 HIBDMN C[C@H](NCC(=O)Nc1ccc(OCc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000540378100 939218275 /nfs/dbraw/zinc/21/82/75/939218275.db2.gz BXRJYVCGZFMOMV-KRWDZBQOSA-N 0 1 405.454 4.463 20 5 HIBDMN CCOc1ccc([C@@H]2CCCN2C(=O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000540476075 939267149 /nfs/dbraw/zinc/26/71/49/939267149.db2.gz QIDRPZCIGPSYOG-UTKZUKDTSA-N 0 1 411.502 4.316 20 5 HIBDMN Cc1nc(-c2ccccc2)c(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])s1 ZINC000540695935 939341654 /nfs/dbraw/zinc/34/16/54/939341654.db2.gz CZINEUWDDZMXPX-UHFFFAOYSA-N 0 1 403.485 4.011 20 5 HIBDMN O=[N+]([O-])c1cccc(CN2CCC(O)(Cc3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC000540835202 939388802 /nfs/dbraw/zinc/38/88/02/939388802.db2.gz JXWYEOPWASUGFL-UHFFFAOYSA-N 0 1 410.392 4.063 20 5 HIBDMN C[C@@H]1C[C@@H]1[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000541323035 939490847 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BPXHAJCNSQZCNA-QFIPXVFZSA-N 0 1 407.470 4.032 20 5 HIBDMN COc1ccc(NC(=O)CCN[C@@H](C)c2nc(C(C)(C)C)cs2)c([N+](=O)[O-])c1 ZINC000542581498 939846058 /nfs/dbraw/zinc/84/60/58/939846058.db2.gz FYMNLEZDSQUXPE-LBPRGKRZSA-N 0 1 406.508 4.037 20 5 HIBDMN COc1cc(CN(C)C[C@H](C)c2nccs2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000543392832 940049777 /nfs/dbraw/zinc/04/97/77/940049777.db2.gz CNQNRCPLXVMJQK-NSHDSACASA-N 0 1 419.425 4.237 20 5 HIBDMN CN(C)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cccs1 ZINC000543443966 940065059 /nfs/dbraw/zinc/06/50/59/940065059.db2.gz BDNCOISJBFKOKM-ZDUSSCGKSA-N 0 1 402.398 4.100 20 5 HIBDMN COc1ccc2oc([C@H](C)N[C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)c(C)c2c1 ZINC000543512146 940090591 /nfs/dbraw/zinc/09/05/91/940090591.db2.gz RIPYVUHIFOUPOJ-IFXJQAMLSA-N 0 1 409.442 4.114 20 5 HIBDMN CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000543560976 940109484 /nfs/dbraw/zinc/10/94/84/940109484.db2.gz ROYHAHAFTDGCMB-RTBURBONSA-N 0 1 412.421 4.136 20 5 HIBDMN Cc1ccc2nc([C@H]3CCCN(C(=O)[C@@H](C)c4ccc([N+](=O)[O-])cc4F)C3)[nH]c2c1 ZINC000543580682 940118195 /nfs/dbraw/zinc/11/81/95/940118195.db2.gz HHYOJWTVLRIVJM-GJZGRUSLSA-N 0 1 410.449 4.428 20 5 HIBDMN C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000544471291 940446087 /nfs/dbraw/zinc/44/60/87/940446087.db2.gz NXUYDXFDZOQGNB-NSHDSACASA-N 0 1 422.308 4.028 20 5 HIBDMN COc1cc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)cc(OC)c1C(C)C ZINC000544632700 940494814 /nfs/dbraw/zinc/49/48/14/940494814.db2.gz XMWNTPCFQXGHCE-UHFFFAOYSA-N 0 1 408.476 4.153 20 5 HIBDMN Cc1c(Cc2noc(-c3ccc(CN4C[C@@H](C)O[C@@H](C)C4)cc3)n2)cccc1[N+](=O)[O-] ZINC000545781370 940588868 /nfs/dbraw/zinc/58/88/68/940588868.db2.gz QVKAIMNKIUAQAK-IYBDPMFKSA-N 0 1 422.485 4.153 20 5 HIBDMN O=[N+]([O-])c1cc(-c2nc(Cc3nnc(-c4ccccc4)[nH]3)no2)cc(C(F)(F)F)c1 ZINC000546503167 940838078 /nfs/dbraw/zinc/83/80/78/940838078.db2.gz KAMHNFADOSVSCI-UHFFFAOYSA-N 0 1 416.319 4.040 20 5 HIBDMN C[C@H](c1ccc(-n2cncn2)cc1)N(C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549338035 941181029 /nfs/dbraw/zinc/18/10/29/941181029.db2.gz NOADCBJRKWYLJP-CYBMUJFWSA-N 0 1 405.380 4.387 20 5 HIBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)c1[N+](=O)[O-] ZINC000552792512 941764540 /nfs/dbraw/zinc/76/45/40/941764540.db2.gz JEBGCUUEXGWFQD-ZDUSSCGKSA-N 0 1 410.396 4.480 20 5 HIBDMN CN(Cc1ccco1)Cc1ccccc1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000553415421 941881141 /nfs/dbraw/zinc/88/11/41/941881141.db2.gz ITBYDHGYWDQHSA-UHFFFAOYSA-N 0 1 409.471 4.437 20 5 HIBDMN COc1ccc(NC(=O)CN[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)c([N+](=O)[O-])c1 ZINC000555075069 942378017 /nfs/dbraw/zinc/37/80/17/942378017.db2.gz LLAOXXYSTOWOLB-LJQANCHMSA-N 0 1 423.391 4.302 20 5 HIBDMN CCc1noc(C)c1CNCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000559313580 943894997 /nfs/dbraw/zinc/89/49/97/943894997.db2.gz YOJQDCFYTHNQEN-UHFFFAOYSA-N 0 1 411.458 4.331 20 5 HIBDMN COc1ccc([C@H](CN(C)C)NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000560072104 944149345 /nfs/dbraw/zinc/14/93/45/944149345.db2.gz XAZWQIPHTVCNSX-FQEVSTJZSA-N 0 1 412.515 4.119 20 5 HIBDMN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N(c1nccs1)C1CCCCC1 ZINC000561125866 944467120 /nfs/dbraw/zinc/46/71/20/944467120.db2.gz DTPPSFVIDFMISX-LSDHHAIUSA-N 0 1 402.520 4.456 20 5 HIBDMN CN(C)C[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(F)cc1 ZINC000561757583 944782030 /nfs/dbraw/zinc/78/20/30/944782030.db2.gz LTPAKJAFNARBFH-LJQANCHMSA-N 0 1 400.479 4.250 20 5 HIBDMN O=[N+]([O-])c1cc(I)cc(CNCc2ccc(C3CC3)cc2)c1 ZINC000562075466 944924715 /nfs/dbraw/zinc/92/47/15/944924715.db2.gz ZIPURQDCGAWYNJ-UHFFFAOYSA-N 0 1 408.239 4.367 20 5 HIBDMN C[C@@H](C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000568699584 946665411 /nfs/dbraw/zinc/66/54/11/946665411.db2.gz MTMHGSYGNSWYAJ-ACJLOTCBSA-N 0 1 409.408 4.136 20 5 HIBDMN CCSc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000571336551 947603781 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1 417.484 4.024 20 5 HIBDMN O=C(Nc1ccc(F)cc1)[C@H](NCCNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000015501228 846053957 /nfs/dbraw/zinc/05/39/57/846053957.db2.gz MCCZJIMTMGONSL-OAQYLSRUSA-N 0 1 408.433 4.115 20 5 HIBDMN COc1cc(OC)c(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc1Cl ZINC000018707503 846338450 /nfs/dbraw/zinc/33/84/50/846338450.db2.gz DVOQWAXVBGAFGL-UHFFFAOYSA-N 0 1 421.258 4.028 20 5 HIBDMN C[C@@H](Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000021688634 846482892 /nfs/dbraw/zinc/48/28/92/846482892.db2.gz PMOKBLLUHMGWCH-SNVBAGLBSA-N 0 1 403.851 4.153 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](C)c1ccc(Br)cc1 ZINC000023994721 846769398 /nfs/dbraw/zinc/76/93/98/846769398.db2.gz ZKIRNFARLOZFSD-VXGBXAGGSA-N 0 1 422.279 4.044 20 5 HIBDMN CCc1c(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[nH]nc1-c1ccncc1 ZINC000436410654 861761064 /nfs/dbraw/zinc/76/10/64/861761064.db2.gz LHLHUNJTVKPYQR-UHFFFAOYSA-N 0 1 409.449 4.281 20 5 HIBDMN COc1cc([C@@H](C)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1OC(C)C ZINC000030492780 847721799 /nfs/dbraw/zinc/72/17/99/847721799.db2.gz FTBIHGJXVFNAJD-HZPDHXFCSA-N 0 1 415.490 4.377 20 5 HIBDMN COc1ccc(S(=O)(=O)Nc2ccccc2SC2CCCC2)cc1[N+](=O)[O-] ZINC000032094437 847986805 /nfs/dbraw/zinc/98/68/05/847986805.db2.gz YGMIZOGNGMQDRY-UHFFFAOYSA-N 0 1 408.501 4.439 20 5 HIBDMN CCN(CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC)c1ccccc1Cl ZINC000032316868 848003086 /nfs/dbraw/zinc/00/30/86/848003086.db2.gz AZCSFLIOKZXLJK-SFHVURJKSA-N 0 1 405.882 4.070 20 5 HIBDMN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](NCCc1ccccn1)c1ccccc1 ZINC000043305263 848406284 /nfs/dbraw/zinc/40/62/84/848406284.db2.gz NYAAFDPWBDYTAF-HXUWFJFHSA-N 0 1 410.861 4.155 20 5 HIBDMN CCOc1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OCC ZINC000043301764 848406725 /nfs/dbraw/zinc/40/67/25/848406725.db2.gz ZABTUUIMARDGDA-LSDHHAIUSA-N 0 1 401.463 4.070 20 5 HIBDMN O=[N+]([O-])c1ccc(-c2nnc(CSc3n[nH]c(CCC4CCCC4)n3)o2)cc1 ZINC000044128300 848518348 /nfs/dbraw/zinc/51/83/48/848518348.db2.gz RAVXZAAIZXIZIZ-UHFFFAOYSA-N 0 1 400.464 4.178 20 5 HIBDMN O=[N+]([O-])c1ccc(-c2nnc(CSc3nc(CCC4CCCC4)n[nH]3)o2)cc1 ZINC000044128300 848518354 /nfs/dbraw/zinc/51/83/54/848518354.db2.gz RAVXZAAIZXIZIZ-UHFFFAOYSA-N 0 1 400.464 4.178 20 5 HIBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000046357845 848831624 /nfs/dbraw/zinc/83/16/24/848831624.db2.gz DDPDWAWCEGWDEI-UHFFFAOYSA-N 0 1 404.348 4.295 20 5 HIBDMN COc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2ccccc2OC(C)C)c([N+](=O)[O-])c1 ZINC000055151914 849978222 /nfs/dbraw/zinc/97/82/22/849978222.db2.gz RGFJAMHLFMWYSS-HUUCEWRRSA-N 0 1 401.463 4.068 20 5 HIBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(OCc3cscn3)c2)c1C ZINC000060341801 851069800 /nfs/dbraw/zinc/06/98/00/851069800.db2.gz IQZLOYFDYHGAQH-UHFFFAOYSA-N 0 1 419.484 4.048 20 5 HIBDMN CCOc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)c(C(F)(F)F)c1 ZINC000064375287 851881839 /nfs/dbraw/zinc/88/18/39/851881839.db2.gz UYTFSPCNMRSTEE-UHFFFAOYSA-N 0 1 404.366 4.122 20 5 HIBDMN C[C@H]1CN(Cc2ccc(CNc3ccc([N+](=O)[O-])c4cccnc34)cc2)C[C@H](C)O1 ZINC000071952670 852443929 /nfs/dbraw/zinc/44/39/29/852443929.db2.gz XFKOAZHYGRMTNE-IRXDYDNUSA-N 0 1 406.486 4.364 20 5 HIBDMN COc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1Br ZINC000096956041 852563111 /nfs/dbraw/zinc/56/31/11/852563111.db2.gz WNXLLSHCDGMHNL-NEPJUHHUSA-N 0 1 422.279 4.044 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1 ZINC000109445404 852971151 /nfs/dbraw/zinc/97/11/51/852971151.db2.gz NSYSIFVMKCJOHZ-UHFFFAOYSA-N 0 1 420.400 4.462 20 5 HIBDMN CCNc1ccc(C(=O)Nc2cc(CN3CCSCC3)ccc2C)cc1[N+](=O)[O-] ZINC000116656699 853323214 /nfs/dbraw/zinc/32/32/14/853323214.db2.gz QIBYIBAGJFXQKM-UHFFFAOYSA-N 0 1 414.531 4.136 20 5 HIBDMN COc1cccc(NC(=O)[C@@H](NCCc2ccc([N+](=O)[O-])cc2)c2ccccc2)c1 ZINC000140105552 853434269 /nfs/dbraw/zinc/43/42/69/853434269.db2.gz MJHGTJRSGXVLML-QFIPXVFZSA-N 0 1 405.454 4.116 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](C)c1ccccc1C(F)(F)F ZINC000140349737 853443129 /nfs/dbraw/zinc/44/31/29/853443129.db2.gz BARHCECFPXMXDZ-VXGBXAGGSA-N 0 1 411.380 4.300 20 5 HIBDMN CCN(CC)S(=O)(=O)c1ccc([C@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000216264694 853848813 /nfs/dbraw/zinc/84/88/13/853848813.db2.gz RSKREYYZJWZMRR-JKSUJKDBSA-N 0 1 405.520 4.037 20 5 HIBDMN COc1ccccc1[C@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCCC1 ZINC000216528274 853855037 /nfs/dbraw/zinc/85/50/37/853855037.db2.gz MOSNSZYTDHMKPI-NRFANRHFSA-N 0 1 422.485 4.042 20 5 HIBDMN CCOc1cccc2cc([C@H](C)NCC(=O)Nc3ccc([N+](=O)[O-])cc3OC)oc21 ZINC000216756730 853858439 /nfs/dbraw/zinc/85/84/39/853858439.db2.gz RVSSHEMQDQFMNG-ZDUSSCGKSA-N 0 1 413.430 4.038 20 5 HIBDMN CNC(=O)c1cccc(CNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)c1 ZINC000237052438 853958002 /nfs/dbraw/zinc/95/80/02/853958002.db2.gz KLIYQSYCUBXTPB-UHFFFAOYSA-N 0 1 409.417 4.176 20 5 HIBDMN COc1ccc(CNCc2cccc(NC(=O)c3ccc(F)cc3)c2)cc1[N+](=O)[O-] ZINC000237262305 853993263 /nfs/dbraw/zinc/99/32/63/853993263.db2.gz ISWAQAJSXJDGNS-UHFFFAOYSA-N 0 1 409.417 4.285 20 5 HIBDMN COc1ccc(CNCc2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1[N+](=O)[O-] ZINC000237475049 854041382 /nfs/dbraw/zinc/04/13/82/854041382.db2.gz JTAJTTRCHBJSDN-UHFFFAOYSA-N 0 1 409.417 4.285 20 5 HIBDMN C[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)N1CCCC[C@H]1C ZINC000237655962 854068985 /nfs/dbraw/zinc/06/89/85/854068985.db2.gz DJLRWXDSVGMZAV-ZIAGYGMSSA-N 0 1 405.882 4.387 20 5 HIBDMN C[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)N1CCCC[C@@H]1C ZINC000237781199 854095958 /nfs/dbraw/zinc/09/59/58/854095958.db2.gz DJLRWXDSVGMZAV-UONOGXRCSA-N 0 1 405.882 4.387 20 5 HIBDMN Cc1[nH]c(SCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)nc1Cc1ccccc1 ZINC000261450296 854266600 /nfs/dbraw/zinc/26/66/00/854266600.db2.gz PGSDGRLPCZCMIZ-UHFFFAOYSA-N 0 1 424.482 4.307 20 5 HIBDMN C[N@H+]1CCC[C@H](CNc2ncc(Br)cc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000301692938 854446104 /nfs/dbraw/zinc/44/61/04/854446104.db2.gz ONGCPZCMBLWIRG-IAQYHMDHSA-N 0 1 411.325 4.309 20 5 HIBDMN Cc1cc(N2CCC[C@@H](c3nnc4n3CCCCC4)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302204995 854549549 /nfs/dbraw/zinc/54/95/49/854549549.db2.gz WNTFTDMZNSUIRE-MRXNPFEDSA-N 0 1 406.490 4.153 20 5 HIBDMN CSc1ccc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000302792548 854634717 /nfs/dbraw/zinc/63/47/17/854634717.db2.gz LSMYMRBCGBCRCY-UHFFFAOYSA-N 0 1 419.934 4.365 20 5 HIBDMN O=C(CN(Cc1ccccc1)CC1CCOCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000303443712 854942601 /nfs/dbraw/zinc/94/26/01/854942601.db2.gz GHDZXJKMKCKYJV-UHFFFAOYSA-N 0 1 417.893 4.116 20 5 HIBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000303539582 855024553 /nfs/dbraw/zinc/02/45/53/855024553.db2.gz HPPAFGWVMVQIJK-INIZCTEOSA-N 0 1 422.407 4.318 20 5 HIBDMN O=[N+]([O-])c1ccc(CNCc2cc(Br)cc(Br)c2)cc1 ZINC000394519998 855469884 /nfs/dbraw/zinc/46/98/84/855469884.db2.gz HKKVOQFJXYHEMI-UHFFFAOYSA-N 0 1 400.070 4.410 20 5 HIBDMN COc1cc(C(=O)Nc2ccc3nc(-c4ccccc4)[nH]c3c2)cc([N+](=O)[O-])c1OC ZINC000427805310 856963310 /nfs/dbraw/zinc/96/33/10/856963310.db2.gz ZGAQOHYWMPFJDO-UHFFFAOYSA-N 0 1 418.409 4.408 20 5 HIBDMN COc1cc(CN[C@@H](C)[C@@H]2OCCc3sccc32)c([N+](=O)[O-])cc1OC(F)F ZINC000429148752 857531411 /nfs/dbraw/zinc/53/14/11/857531411.db2.gz FBYNKUOWEKVATL-BTDLBPIBSA-N 0 1 414.430 4.058 20 5 HIBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H]2c2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000433994499 860024695 /nfs/dbraw/zinc/02/46/95/860024695.db2.gz SMFCUQFSYNDMBS-CYBMUJFWSA-N 0 1 407.268 4.181 20 5 HIBDMN CC(C)c1[nH]nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000434343493 860302238 /nfs/dbraw/zinc/30/22/38/860302238.db2.gz HDMGVWIZJHVJSN-UHFFFAOYSA-N 0 1 410.396 4.480 20 5 HIBDMN CC(C)CN1Cc2cccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c2C1 ZINC000438348206 863818180 /nfs/dbraw/zinc/81/81/80/863818180.db2.gz WZINPGAAIYSIAM-UHFFFAOYSA-N 0 1 408.502 4.419 20 5 HIBDMN COc1ccc([C@@H](CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000439211305 864633213 /nfs/dbraw/zinc/63/32/13/864633213.db2.gz QMIUHECXOIILJS-LJQANCHMSA-N 0 1 417.893 4.132 20 5 HIBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC([C@H]3CCCO3)CC2)cc1OC ZINC000439299166 864724669 /nfs/dbraw/zinc/72/46/69/864724669.db2.gz PBAHWDDHCMZBLG-OXJNMPFZSA-N 0 1 406.523 4.419 20 5 HIBDMN CCc1[nH]nc(C(=O)N(C)[C@@H](C)c2ccc(-c3ccccc3OC)cc2)c1[N+](=O)[O-] ZINC000444259390 868704689 /nfs/dbraw/zinc/70/46/89/868704689.db2.gz KWVHKGQFMKYGJZ-AWEZNQCLSA-N 0 1 408.458 4.389 20 5 HIBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](c3ccccc3)[C@@H]2c2cccc(OC)c2)c1[N+](=O)[O-] ZINC000444367508 868793152 /nfs/dbraw/zinc/79/31/52/868793152.db2.gz INRCMACOTQFHFF-RXVVDRJESA-N 0 1 420.469 4.260 20 5 HIBDMN C[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(OCc2ccccc2)c1 ZINC000444721764 868976246 /nfs/dbraw/zinc/97/62/46/868976246.db2.gz GECJSCFNTNSHCB-MRXNPFEDSA-N 0 1 405.454 4.124 20 5 HIBDMN C[C@H]1CCCN(c2ccc(C(=O)N(C)Cc3cc(C(C)(C)C)[nH]n3)cc2[N+](=O)[O-])C1 ZINC000446651477 870567127 /nfs/dbraw/zinc/56/71/27/870567127.db2.gz FBQVSIISEQDWDH-HNNXBMFYSA-N 0 1 413.522 4.124 20 5 HIBDMN Cc1ccc(CNCc2cnn(-c3ccc(Br)cc3)c2)cc1[N+](=O)[O-] ZINC000447095574 870993424 /nfs/dbraw/zinc/99/34/24/870993424.db2.gz YSJSIDBVHYJEMQ-UHFFFAOYSA-N 0 1 401.264 4.141 20 5 HIBDMN O=C(Nc1cccc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1)c1ccncc1 ZINC000447527455 871393040 /nfs/dbraw/zinc/39/30/40/871393040.db2.gz GAYNGTHMCQZBJJ-QFIPXVFZSA-N 0 1 402.454 4.409 20 5 HIBDMN C[C@@H]1CN(Cc2ccc(C[NH2+][C@@H]3CCCc4ccc([N+](=O)[O-])cc43)cc2)C[C@@H](C)O1 ZINC000447540087 871408066 /nfs/dbraw/zinc/40/80/66/871408066.db2.gz ISFXFSWRICEBKC-QZTZHPFYSA-N 0 1 409.530 4.371 20 5 HIBDMN CCc1ccc([C@@H](N[C@H]2CCCN(c3cc(C)nn3C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000447549176 871423697 /nfs/dbraw/zinc/42/36/97/871423697.db2.gz DCGWPMIDAPDXGE-MBSDFSHPSA-N 0 1 423.517 4.140 20 5 HIBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000447692982 871629313 /nfs/dbraw/zinc/62/93/13/871629313.db2.gz AEHKDGHVIMHZDH-UHFFFAOYSA-N 0 1 407.343 4.301 20 5 HIBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc2c1OCC[C@@H]2N(C)C ZINC000447728532 871675928 /nfs/dbraw/zinc/67/59/28/871675928.db2.gz LVGCKMWGEDMQMF-KRWDZBQOSA-N 0 1 401.488 4.344 20 5 HIBDMN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000447799437 871738106 /nfs/dbraw/zinc/73/81/06/871738106.db2.gz INWFPSVXODOVJY-CYBMUJFWSA-N 0 1 418.881 4.067 20 5 HIBDMN C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC2(CCOCC2)O1 ZINC000448365008 872314674 /nfs/dbraw/zinc/31/46/74/872314674.db2.gz WDLGHBPLPZVJRH-CQSZACIVSA-N 0 1 406.866 4.278 20 5 HIBDMN C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC2(CCOCC2)O1 ZINC000448365008 872314686 /nfs/dbraw/zinc/31/46/86/872314686.db2.gz WDLGHBPLPZVJRH-CQSZACIVSA-N 0 1 406.866 4.278 20 5 HIBDMN C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC2(CCOCC2)O1 ZINC000448365007 872315001 /nfs/dbraw/zinc/31/50/01/872315001.db2.gz WDLGHBPLPZVJRH-AWEZNQCLSA-N 0 1 406.866 4.278 20 5 HIBDMN C[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC2(CCOCC2)O1 ZINC000448365007 872315020 /nfs/dbraw/zinc/31/50/20/872315020.db2.gz WDLGHBPLPZVJRH-AWEZNQCLSA-N 0 1 406.866 4.278 20 5 HIBDMN CO[C@](C)(CN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C1CC1 ZINC000461063298 873942980 /nfs/dbraw/zinc/94/29/80/873942980.db2.gz VTEOWINVOUUUGE-PZJWPPBQSA-N 0 1 417.893 4.333 20 5 HIBDMN CC(=O)c1cc(F)c(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(F)c1F ZINC000461102698 874021828 /nfs/dbraw/zinc/02/18/28/874021828.db2.gz WLFOHEVXPVXVDY-UHFFFAOYSA-N 0 1 406.238 4.486 20 5 HIBDMN COc1ccc(-c2ccc(CNC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)cc2)cc1 ZINC000461275522 874283360 /nfs/dbraw/zinc/28/33/60/874283360.db2.gz SQWWCHODQSWEEH-UHFFFAOYSA-N 0 1 402.410 4.077 20 5 HIBDMN C[C@@H]1CN(Cc2ccc(CNc3ccc([N+](=O)[O-])c(OC(F)F)c3)cc2)C[C@H](C)O1 ZINC000462086214 875195161 /nfs/dbraw/zinc/19/51/61/875195161.db2.gz DZDXSASFPDZBBV-GASCZTMLSA-N 0 1 421.444 4.418 20 5 HIBDMN C[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000462478270 875586417 /nfs/dbraw/zinc/58/64/17/875586417.db2.gz CCOVYLNIKNUVAI-SSDOTTSWSA-N 0 1 411.213 4.219 20 5 HIBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000462928980 875958159 /nfs/dbraw/zinc/95/81/59/875958159.db2.gz USZCKYPFIXCQJD-IBGZPJMESA-N 0 1 413.493 4.083 20 5 HIBDMN O=C(NC[C@@H](c1cccs1)N1CCCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463434801 876491710 /nfs/dbraw/zinc/49/17/10/876491710.db2.gz PSRPJKBSFANRGC-HNNXBMFYSA-N 0 1 413.421 4.242 20 5 HIBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000463441112 876498973 /nfs/dbraw/zinc/49/89/73/876498973.db2.gz HXPFRIKWYZJFHJ-SBUREZEXSA-N 0 1 422.485 4.023 20 5 HIBDMN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000463949294 877070570 /nfs/dbraw/zinc/07/05/70/877070570.db2.gz KEOHQCCTIPJIMF-UHFFFAOYSA-N 0 1 400.454 4.137 20 5 HIBDMN Cc1ccc(CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]2CCCO2)cc1 ZINC000464774095 878016142 /nfs/dbraw/zinc/01/61/42/878016142.db2.gz HYRNHNHBZBTYSI-OAQYLSRUSA-N 0 1 422.485 4.177 20 5 HIBDMN COC(=O)c1cc2c(o1)c(OC)ccc2CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000466474325 880257187 /nfs/dbraw/zinc/25/71/87/880257187.db2.gz OUFBQYMWFQCETO-UHFFFAOYSA-N 0 1 404.806 4.079 20 5 HIBDMN CN1CCCN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CC1 ZINC000466784867 880563485 /nfs/dbraw/zinc/56/34/85/880563485.db2.gz ABAAIIQWXZXMRB-UHFFFAOYSA-N 0 1 405.907 4.177 20 5 HIBDMN Cc1c([C@H](C)N[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cccc1[N+](=O)[O-] ZINC000469101253 883191080 /nfs/dbraw/zinc/19/10/80/883191080.db2.gz UEBNFZVUCLRIJF-LIRRHRJNSA-N 0 1 403.429 4.023 20 5 HIBDMN COc1cc(S(=O)(=O)Nc2ccc3oc(CC(C)(C)C)nc3c2)ccc1[N+](=O)[O-] ZINC000469276751 883375492 /nfs/dbraw/zinc/37/54/92/883375492.db2.gz OQLHSJVGZFFQDZ-UHFFFAOYSA-N 0 1 419.459 4.134 20 5 HIBDMN O=[N+]([O-])c1cc(CN2CCC(Cc3ccc(F)c(F)c3)CC2)c2c(c1)COCO2 ZINC000469448060 883644311 /nfs/dbraw/zinc/64/43/11/883644311.db2.gz KNYNNLQRSFUQFT-UHFFFAOYSA-N 0 1 404.413 4.194 20 5 HIBDMN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2cccc(C(=O)OC)c2[nH]1 ZINC000503634042 912735152 /nfs/dbraw/zinc/73/51/52/912735152.db2.gz AMHNVRJOVLBCHB-UHFFFAOYSA-N 0 1 414.443 4.012 20 5 HIBDMN CN(C)[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1cccc(C(F)(F)F)c1 ZINC000469509122 883763817 /nfs/dbraw/zinc/76/38/17/883763817.db2.gz UNQDURYEOFYCRZ-INIZCTEOSA-N 0 1 421.375 4.393 20 5 HIBDMN CCOc1ccc([C@H](C)N[C@H](Cn2ccccc2=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000503921405 912866280 /nfs/dbraw/zinc/86/62/80/912866280.db2.gz UXIPBKOBDAZOLE-FXAWDEMLSA-N 0 1 407.470 4.247 20 5 HIBDMN CN(C)[C@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21)c1cccc(C(F)(F)F)c1 ZINC000470599561 885023935 /nfs/dbraw/zinc/02/39/35/885023935.db2.gz JVZMXKWNUOGSOT-QGZVFWFLSA-N 0 1 420.391 4.128 20 5 HIBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nc(-c2ccc(SC)cc2)ns1 ZINC000470971309 885471108 /nfs/dbraw/zinc/47/11/08/885471108.db2.gz ZVHADFIZDTWHCC-UHFFFAOYSA-N 0 1 416.484 4.486 20 5 HIBDMN Cc1ccc([C@H](NCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccccn2)cc1 ZINC000471079365 885605543 /nfs/dbraw/zinc/60/55/43/885605543.db2.gz ASZGSJQXVCWNKA-QHCPKHFHSA-N 0 1 404.470 4.314 20 5 HIBDMN COc1cccc([C@H]2[C@@H](NC(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)CCN2C2CC2)c1 ZINC000471937586 886734405 /nfs/dbraw/zinc/73/44/05/886734405.db2.gz SUFHXOLWVWXCIK-UGKGYDQZSA-N 0 1 424.501 4.320 20 5 HIBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000472619960 887488089 /nfs/dbraw/zinc/48/80/89/887488089.db2.gz DWIDSXGBLAYXQD-HSZRJFAPSA-N 0 1 409.486 4.202 20 5 HIBDMN COc1ccc(-c2n[nH]c(SCc3ccccc3[N+](=O)[O-])n2)cc1Br ZINC000473514593 888245970 /nfs/dbraw/zinc/24/59/70/888245970.db2.gz WWRVRKJZMHCCJG-UHFFFAOYSA-N 0 1 421.276 4.443 20 5 HIBDMN COC(=O)COc1ccc(CN[C@@H](c2ccc(Cl)cc2F)C(C)C)cc1[N+](=O)[O-] ZINC000474017185 888871301 /nfs/dbraw/zinc/87/13/01/888871301.db2.gz APAPDQGBNFUSKC-HXUWFJFHSA-N 0 1 424.856 4.426 20 5 HIBDMN COC(=O)COc1ccc(CNC(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000474349225 889226417 /nfs/dbraw/zinc/22/64/17/889226417.db2.gz OMORKRWGVDWZMY-UHFFFAOYSA-N 0 1 406.438 4.026 20 5 HIBDMN Cc1ccc([C@H](N[C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccn2)cc1 ZINC000475334886 890254536 /nfs/dbraw/zinc/25/45/36/890254536.db2.gz FLHHZLRDVDRLRN-HXOBKFHXSA-N 0 1 404.470 4.395 20 5 HIBDMN CCOC(=O)C1(COC)CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000475628283 890566458 /nfs/dbraw/zinc/56/64/58/890566458.db2.gz WHEZAJPWBQIAES-UHFFFAOYSA-N 0 1 418.515 4.115 20 5 HIBDMN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000475632101 890572970 /nfs/dbraw/zinc/57/29/70/890572970.db2.gz DBVMKMXREVIZKO-KRWDZBQOSA-N 0 1 406.446 4.366 20 5 HIBDMN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000475632101 890572978 /nfs/dbraw/zinc/57/29/78/890572978.db2.gz DBVMKMXREVIZKO-KRWDZBQOSA-N 0 1 406.446 4.366 20 5 HIBDMN CCOc1ccc(NC(=O)CN[C@H](C)c2cc3cccc(F)c3o2)c([N+](=O)[O-])c1 ZINC000475690112 890630169 /nfs/dbraw/zinc/63/01/69/890630169.db2.gz DNNCXKFIELARRC-GFCCVEGCSA-N 0 1 401.394 4.168 20 5 HIBDMN CCOc1ccc(NC(=O)CN[C@@H](C)c2cc3cccc(F)c3o2)c([N+](=O)[O-])c1 ZINC000475690113 890630486 /nfs/dbraw/zinc/63/04/86/890630486.db2.gz DNNCXKFIELARRC-LBPRGKRZSA-N 0 1 401.394 4.168 20 5 HIBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]1c1ccc(Br)s1 ZINC000504838499 913561889 /nfs/dbraw/zinc/56/18/89/913561889.db2.gz JKXHHNKMMHCCCS-GFCCVEGCSA-N 0 1 421.276 4.272 20 5 HIBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000477015822 891942868 /nfs/dbraw/zinc/94/28/68/891942868.db2.gz YPCNYNJVMUBHLT-KGLIPLIRSA-N 0 1 405.882 4.319 20 5 HIBDMN CCOc1ccc([C@@H](C)NCc2ccc(NC(=O)c3ccncc3)cc2)cc1[N+](=O)[O-] ZINC000504905448 913638977 /nfs/dbraw/zinc/63/89/77/913638977.db2.gz IQZPZCJCJNRCAU-MRXNPFEDSA-N 0 1 420.469 4.492 20 5 HIBDMN COc1ccccc1[C@@H](CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])N1CCCC1 ZINC000477309378 892271437 /nfs/dbraw/zinc/27/14/37/892271437.db2.gz HAXVWJJNNUUXJT-GOSISDBHSA-N 0 1 417.893 4.132 20 5 HIBDMN O=C(NCc1nc(-c2cc3ccccc3o2)cs1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000478879377 894157534 /nfs/dbraw/zinc/15/75/34/894157534.db2.gz BVEGNNUCMRQMTM-UHFFFAOYSA-N 0 1 419.422 4.271 20 5 HIBDMN O=C1[C@H](NC/C=C/c2ccccc2[N+](=O)[O-])CCN1c1ccccc1C(F)(F)F ZINC000479418652 894728524 /nfs/dbraw/zinc/72/85/24/894728524.db2.gz KHVCUGPLNAASND-BIENSFFJSA-N 0 1 405.376 4.022 20 5 HIBDMN COc1cc(C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)cc([N+](=O)[O-])c1C ZINC000480095726 895459759 /nfs/dbraw/zinc/45/97/59/895459759.db2.gz NREYTGFFKXCLAX-UHFFFAOYSA-N 0 1 403.398 4.102 20 5 HIBDMN Cc1nn(-c2ccc(Br)cc2)cc1CNCc1cccc([N+](=O)[O-])c1C ZINC000480478718 895857878 /nfs/dbraw/zinc/85/78/78/895857878.db2.gz GABFTYDMIOSDLW-UHFFFAOYSA-N 0 1 415.291 4.450 20 5 HIBDMN C[C@@H](NCc1cccnc1N1CCOCC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000480534889 895897851 /nfs/dbraw/zinc/89/78/51/895897851.db2.gz HMSCAULFQUXISL-MRXNPFEDSA-N 0 1 424.526 4.406 20 5 HIBDMN C[C@H](c1ccc(F)c(F)c1)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000481180277 896517808 /nfs/dbraw/zinc/51/78/08/896517808.db2.gz WSTSITMPYDJRMM-CYBMUJFWSA-N 0 1 401.417 4.023 20 5 HIBDMN Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)C[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000481516985 896884242 /nfs/dbraw/zinc/88/42/42/896884242.db2.gz OIXQVUGXDRCVCY-NYVOZVTQSA-N 0 1 411.502 4.066 20 5 HIBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1 ZINC000481981113 897373841 /nfs/dbraw/zinc/37/38/41/897373841.db2.gz NWJLYCSKADNCCS-UHFFFAOYSA-N 0 1 424.385 4.000 20 5 HIBDMN COc1ccc([C@@H](CCO)NCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)cc1 ZINC000482659923 898262246 /nfs/dbraw/zinc/26/22/46/898262246.db2.gz FKHRNCLQAWXKEG-HXUWFJFHSA-N 0 1 412.442 4.085 20 5 HIBDMN COc1cccc([C@H]2[C@@H](NC(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)CCN2C2CC2)c1 ZINC000482826606 898434913 /nfs/dbraw/zinc/43/49/13/898434913.db2.gz PIBNXZBOFCSMIL-REWPJTCUSA-N 0 1 423.513 4.236 20 5 HIBDMN C[C@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)[C@@H](c1ccccc1)N(C)C ZINC000505592071 914299522 /nfs/dbraw/zinc/29/95/22/914299522.db2.gz QSVNECRZIPSJFJ-WNSKOXEYSA-N 0 1 417.484 4.242 20 5 HIBDMN CC(C)[C@@](C)(NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000484345138 899894435 /nfs/dbraw/zinc/89/44/35/899894435.db2.gz PJSJXFONLWTRAO-LJQANCHMSA-N 0 1 420.307 4.117 20 5 HIBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(-c2cc3ccccc3o2)n[nH]1 ZINC000485133521 900434911 /nfs/dbraw/zinc/43/49/11/900434911.db2.gz NAXBKSMEPBXBQO-LLVKDONJSA-N 0 1 409.427 4.245 20 5 HIBDMN Cc1c(NS(=O)(=O)c2cc(F)cc(Cl)c2)cc(Br)cc1[N+](=O)[O-] ZINC000485396799 900693882 /nfs/dbraw/zinc/69/38/82/900693882.db2.gz NWRNTZVEMBIXJO-UHFFFAOYSA-N 0 1 423.647 4.259 20 5 HIBDMN O=[N+]([O-])c1ccc(NCCc2cc(-c3ccncc3)[nH]n2)nc1-c1ccc(F)cc1 ZINC000485407227 900705128 /nfs/dbraw/zinc/70/51/28/900705128.db2.gz MWSRWPWPEORABN-UHFFFAOYSA-N 0 1 404.405 4.236 20 5 HIBDMN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000485771249 901027950 /nfs/dbraw/zinc/02/79/50/901027950.db2.gz CJLUDXIWOSSGMI-QFIPXVFZSA-N 0 1 422.391 4.198 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(c2c(F)cccc2F)CC1 ZINC000485905777 901133936 /nfs/dbraw/zinc/13/39/36/901133936.db2.gz JZYNQUSDOPIPOM-UHFFFAOYSA-N 0 1 419.428 4.090 20 5 HIBDMN CC(C)([C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1)N1CCCC1 ZINC000486558902 901704450 /nfs/dbraw/zinc/70/44/50/901704450.db2.gz RPCWWLMKHHWFNI-LJQANCHMSA-N 0 1 403.429 4.219 20 5 HIBDMN CC(C)([C@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccc(F)c(F)c1)N1CCCC1 ZINC000486564897 901709869 /nfs/dbraw/zinc/70/98/69/901709869.db2.gz LSKWZAMLFLSEHJ-QGZVFWFLSA-N 0 1 409.458 4.280 20 5 HIBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000486614346 901750316 /nfs/dbraw/zinc/75/03/16/901750316.db2.gz ITAYXUXYDLQIHQ-LLVKDONJSA-N 0 1 402.813 4.111 20 5 HIBDMN CN(Cc1ccco1)Cc1ccccc1CNc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000486931358 901973680 /nfs/dbraw/zinc/97/36/80/901973680.db2.gz AZQHPGBXKSKFFL-UHFFFAOYSA-N 0 1 419.441 4.482 20 5 HIBDMN O=C(N[C@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000488217739 902697937 /nfs/dbraw/zinc/69/79/37/902697937.db2.gz LEZAIPNKIPLDRZ-OAHLLOKOSA-N 0 1 423.231 4.478 20 5 HIBDMN CCN(CC(C)(C)O)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000489321727 903330956 /nfs/dbraw/zinc/33/09/56/903330956.db2.gz BZADTOUCYCAIMH-SFHVURJKSA-N 0 1 405.882 4.021 20 5 HIBDMN CCn1c2ccccc2nc1[C@H]1CCCN1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000490164660 903805086 /nfs/dbraw/zinc/80/50/86/903805086.db2.gz NHRNPKSEIADWTP-OAQYLSRUSA-N 0 1 421.501 4.439 20 5 HIBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000490365483 903957599 /nfs/dbraw/zinc/95/75/99/903957599.db2.gz KJVYUMMBOXUUPQ-OLZOCXBDSA-N 0 1 418.240 4.429 20 5 HIBDMN O=C(CSc1cccc(C(F)(F)F)c1)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000490366801 903959960 /nfs/dbraw/zinc/95/99/60/903959960.db2.gz MITNFUTYEPGBOH-UHFFFAOYSA-N 0 1 423.376 4.130 20 5 HIBDMN Cc1sc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)nc1-c1ccc(Cl)cc1 ZINC000506101202 914804211 /nfs/dbraw/zinc/80/42/11/914804211.db2.gz BSQXPQIADBFXQK-UHFFFAOYSA-N 0 1 403.847 4.316 20 5 HIBDMN COc1cc(CN2CC[C@@H](c3cccc(F)c3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491082075 904418176 /nfs/dbraw/zinc/41/81/76/904418176.db2.gz ZPYPGNDXEATAAS-CQSZACIVSA-N 0 1 410.392 4.376 20 5 HIBDMN O=[N+]([O-])c1cccc([C@H](NCc2ccccc2CN2CCOCC2)c2ccccc2)c1 ZINC000491422864 904587812 /nfs/dbraw/zinc/58/78/12/904587812.db2.gz JXPROEYJPWGSFH-RUZDIDTESA-N 0 1 417.509 4.306 20 5 HIBDMN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c(C(F)(F)F)c1 ZINC000491597079 904668048 /nfs/dbraw/zinc/66/80/48/904668048.db2.gz QZISGTKZXXMFGQ-UHFFFAOYSA-N 0 1 404.366 4.040 20 5 HIBDMN CSc1ccc(C(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000497122991 906809155 /nfs/dbraw/zinc/80/91/55/906809155.db2.gz FLMDJNLVQXAPOJ-HNNXBMFYSA-N 0 1 409.471 4.079 20 5 HIBDMN CSc1ccc(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)cc1[N+](=O)[O-] ZINC000497122991 906809157 /nfs/dbraw/zinc/80/91/57/906809157.db2.gz FLMDJNLVQXAPOJ-HNNXBMFYSA-N 0 1 409.471 4.079 20 5 HIBDMN O=C(c1ccccc1)c1ccc(N2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c([N+](=O)[O-])c1 ZINC000497535792 907025070 /nfs/dbraw/zinc/02/50/70/907025070.db2.gz AXDDCPRHSABZHJ-GOSISDBHSA-N 0 1 417.469 4.205 20 5 HIBDMN O=C(c1ccccc1)c1ccc(N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c([N+](=O)[O-])c1 ZINC000497535792 907025083 /nfs/dbraw/zinc/02/50/83/907025083.db2.gz AXDDCPRHSABZHJ-GOSISDBHSA-N 0 1 417.469 4.205 20 5 HIBDMN Cc1ccc(NC(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cc1[N+](=O)[O-] ZINC000512728500 921297903 /nfs/dbraw/zinc/29/79/03/921297903.db2.gz FAUDSRSARCHRTI-KRWDZBQOSA-N 0 1 422.407 4.318 20 5 HIBDMN Cc1c(Cc2nc(=O)c3sc(-c4ccc5c(c4)OCO5)cc3[nH]2)cccc1[N+](=O)[O-] ZINC000497847366 907326312 /nfs/dbraw/zinc/32/63/12/907326312.db2.gz DTTVKZLWZXOHQO-UHFFFAOYSA-N 0 1 421.434 4.188 20 5 HIBDMN CC1(C)CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000497881402 907355386 /nfs/dbraw/zinc/35/53/86/907355386.db2.gz ILNVRFCGQLRICR-KRWDZBQOSA-N 0 1 424.375 4.312 20 5 HIBDMN Cc1cccc([C@@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c2ccccn2)c1 ZINC000497985988 907465276 /nfs/dbraw/zinc/46/52/76/907465276.db2.gz XBKOSRIPUYNUKA-GOSISDBHSA-N 0 1 417.874 4.020 20 5 HIBDMN CC[C@H](NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000498350029 907852009 /nfs/dbraw/zinc/85/20/09/907852009.db2.gz OVMVFHPYXDUSGV-YOEHRIQHSA-N 0 1 402.344 4.318 20 5 HIBDMN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ncc(C(F)(F)F)[nH]3)cc2[N+](=O)[O-])C1 ZINC000507021763 915827588 /nfs/dbraw/zinc/82/75/88/915827588.db2.gz KYTZSUYATPDUCB-QWRGUYRKSA-N 0 1 411.384 4.071 20 5 HIBDMN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000507094147 915865974 /nfs/dbraw/zinc/86/59/74/915865974.db2.gz KLROLBCKPCDPAP-AWEZNQCLSA-N 0 1 415.519 4.112 20 5 HIBDMN COCCSc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000507481952 916249005 /nfs/dbraw/zinc/24/90/05/916249005.db2.gz DMHHQOQQFQBYRX-HUUCEWRRSA-N 0 1 403.504 4.011 20 5 HIBDMN CCSc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000507554364 916310493 /nfs/dbraw/zinc/31/04/93/916310493.db2.gz UXZDGQQUGITOPY-KBPBESRZSA-N 0 1 403.504 4.393 20 5 HIBDMN COc1cc(CNCc2ccc(-c3ccc4c(c3)CCO4)cc2)c([N+](=O)[O-])cc1O ZINC000507897386 916758135 /nfs/dbraw/zinc/75/81/35/916758135.db2.gz SJFVMTMPWZSONE-UHFFFAOYSA-N 0 1 406.438 4.201 20 5 HIBDMN O=C(N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000508100224 916916464 /nfs/dbraw/zinc/91/64/64/916916464.db2.gz KCWWGPUJBNIAMB-ZDUSSCGKSA-N 0 1 408.254 4.353 20 5 HIBDMN COc1ccc(-c2ccc(CN(Cc3ccc(C(N)=O)cc3)C3CC3)o2)c([N+](=O)[O-])c1 ZINC000508667783 917432467 /nfs/dbraw/zinc/43/24/67/917432467.db2.gz UPVUQGWYKHFMGD-UHFFFAOYSA-N 0 1 421.453 4.127 20 5 HIBDMN CN(Cc1ccccc1)Cc1cccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000508783673 917537996 /nfs/dbraw/zinc/53/79/96/917537996.db2.gz DADQKOXPUPEYRK-UHFFFAOYSA-N 0 1 401.466 4.430 20 5 HIBDMN O=[N+]([O-])c1cc(F)c(CN2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)c(F)c1 ZINC000509007434 917762012 /nfs/dbraw/zinc/76/20/12/917762012.db2.gz HGWWBCXCCTXBDC-CQSZACIVSA-N 0 1 405.449 4.418 20 5 HIBDMN O=[N+]([O-])c1cc(F)c(CN2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)c(F)c1 ZINC000509007434 917762031 /nfs/dbraw/zinc/76/20/31/917762031.db2.gz HGWWBCXCCTXBDC-CQSZACIVSA-N 0 1 405.449 4.418 20 5 HIBDMN CCNc1ccc(C(=O)Nc2ccc(CN3CCSCC3)cc2C)cc1[N+](=O)[O-] ZINC000509215411 917916531 /nfs/dbraw/zinc/91/65/31/917916531.db2.gz LYGHZPXXXGSPDV-UHFFFAOYSA-N 0 1 414.531 4.136 20 5 HIBDMN Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)N(C)C ZINC000510556075 919001097 /nfs/dbraw/zinc/00/10/97/919001097.db2.gz XFNMAERMIDIRKL-OSPHWJPCSA-N 0 1 413.521 4.411 20 5 HIBDMN COc1ccccc1C[C@H](C)N(C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000513473312 921832686 /nfs/dbraw/zinc/83/26/86/921832686.db2.gz VSPKXGFJSHKACP-ZDUSSCGKSA-N 0 1 410.417 4.276 20 5 HIBDMN COc1cc(C[N@@H+](C)C[C@@H]2CCCOC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000513496774 921847245 /nfs/dbraw/zinc/84/72/45/921847245.db2.gz KJKLMZUDQLECTG-SFHVURJKSA-N 0 1 400.475 4.041 20 5 HIBDMN COc1cc(CN(C)C[C@@H]2CCCOC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000513496774 921847253 /nfs/dbraw/zinc/84/72/53/921847253.db2.gz KJKLMZUDQLECTG-SFHVURJKSA-N 0 1 400.475 4.041 20 5 HIBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(COc2ccccc2-c2nnc[nH]2)cc1OC ZINC000513580396 921911244 /nfs/dbraw/zinc/91/12/44/921911244.db2.gz NPZJWALXEZXNOS-AWEZNQCLSA-N 0 1 412.446 4.392 20 5 HIBDMN COc1ccc([C@H](N[C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])c2nccn2C)cc1 ZINC000513789000 922117334 /nfs/dbraw/zinc/11/73/34/922117334.db2.gz BAUMNPFTOKNASX-HARLFGEKSA-N 0 1 420.513 4.427 20 5 HIBDMN Cc1ccc(NC(=O)[C@H](N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c2ccccc2)c([N+](=O)[O-])c1 ZINC000513857660 922184225 /nfs/dbraw/zinc/18/42/25/922184225.db2.gz OJYDTNURXHKPPF-CIQXWFTPSA-N 0 1 421.497 4.130 20 5 HIBDMN Cc1nc([C@H]2CCCCN2C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)n[nH]1 ZINC000513943087 922260545 /nfs/dbraw/zinc/26/05/45/922260545.db2.gz XFFIQQUVZMGDKO-GOSISDBHSA-N 0 1 406.446 4.132 20 5 HIBDMN O=[N+]([O-])c1ccc(CCSc2nc(-c3ccc(Br)cc3)n[nH]2)cc1 ZINC000514563291 922699945 /nfs/dbraw/zinc/69/99/45/922699945.db2.gz KMASSFVFWBFZCL-UHFFFAOYSA-N 0 1 405.277 4.477 20 5 HIBDMN COc1ccc([C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2C)N2CCCCC2)cc1 ZINC000515106176 922918332 /nfs/dbraw/zinc/91/83/32/922918332.db2.gz KHZBOKNTLLGWDY-OAQYLSRUSA-N 0 1 412.490 4.261 20 5 HIBDMN O=C(NCc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000517600055 926709521 /nfs/dbraw/zinc/70/95/21/926709521.db2.gz MQVPSODFJBOOIW-IBGZPJMESA-N 0 1 416.909 4.102 20 5 HIBDMN CCOc1cccc2cc([C@H](C)N[C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)oc21 ZINC000520970534 928895874 /nfs/dbraw/zinc/89/58/74/928895874.db2.gz OUNYFIIBZHUZJO-KSSFIOAISA-N 0 1 409.442 4.196 20 5 HIBDMN Cc1c(Cl)cccc1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000521761830 929423232 /nfs/dbraw/zinc/42/32/32/929423232.db2.gz ZHXBVIAZLLIEMN-UHFFFAOYSA-N 0 1 405.657 4.120 20 5 HIBDMN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000530728430 930810080 /nfs/dbraw/zinc/81/00/80/930810080.db2.gz XGTWQRSJGAAALT-OLZOCXBDSA-N 0 1 406.280 4.344 20 5 HIBDMN CN(C)[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000531066844 930904418 /nfs/dbraw/zinc/90/44/18/930904418.db2.gz QTRWUGKJGAKPSI-INIZCTEOSA-N 0 1 415.799 4.300 20 5 HIBDMN CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000531204529 930964961 /nfs/dbraw/zinc/96/49/61/930964961.db2.gz GYZZZCDUNCYIJT-UONOGXRCSA-N 0 1 419.503 4.128 20 5 HIBDMN Cc1ccc(C[C@@H](C)N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000532968525 931719346 /nfs/dbraw/zinc/71/93/46/931719346.db2.gz JZFJIBIHPXDELH-CQSZACIVSA-N 0 1 420.307 4.167 20 5 HIBDMN CNc1ccc(C(=O)Nc2cc(Br)cc(Cl)c2O)cc1[N+](=O)[O-] ZINC000534206388 932331590 /nfs/dbraw/zinc/33/15/90/932331590.db2.gz QZWPRTOEGXOHTI-UHFFFAOYSA-N 0 1 400.616 4.010 20 5 HIBDMN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000534715643 932684195 /nfs/dbraw/zinc/68/41/95/932684195.db2.gz RWJXDLPEZAOZBR-GOSISDBHSA-N 0 1 413.865 4.214 20 5 HIBDMN O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534984347 932875586 /nfs/dbraw/zinc/87/55/86/932875586.db2.gz GRXRFSSAXLGSHQ-LJQANCHMSA-N 0 1 412.877 4.296 20 5 HIBDMN O=C(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534984340 932875594 /nfs/dbraw/zinc/87/55/94/932875594.db2.gz GRXRFSSAXLGSHQ-IBGZPJMESA-N 0 1 412.877 4.296 20 5 HIBDMN O=[N+]([O-])c1cc(CN[C@@H](CO)CC(F)(F)F)ccc1Oc1ccccc1Cl ZINC000536001145 933560683 /nfs/dbraw/zinc/56/06/83/933560683.db2.gz ARUYGMARRYQTNC-GFCCVEGCSA-N 0 1 404.772 4.443 20 5 HIBDMN Cc1ccc(NC(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)cc1[N+](=O)[O-] ZINC000537560087 938323931 /nfs/dbraw/zinc/32/39/31/938323931.db2.gz BFRQWJLNVOMBCE-INIZCTEOSA-N 0 1 412.494 4.481 20 5 HIBDMN C[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(OCC(F)(F)F)cc1 ZINC000538163709 938530779 /nfs/dbraw/zinc/53/07/79/938530779.db2.gz QULAPAYFZZFQSD-OLZOCXBDSA-N 0 1 411.380 4.214 20 5 HIBDMN C[C@@H](N[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000538581317 938654806 /nfs/dbraw/zinc/65/48/06/938654806.db2.gz NRZJBXSJLAQZOQ-KUHUBIRLSA-N 0 1 421.419 4.455 20 5 HIBDMN Cc1ccc(NC(=O)N2CCC[C@@H](c3nnc(-c4ccccc4)[nH]3)C2)cc1[N+](=O)[O-] ZINC000538661595 938677298 /nfs/dbraw/zinc/67/72/98/938677298.db2.gz HLEYJBJIXABAET-MRXNPFEDSA-N 0 1 406.446 4.100 20 5 HIBDMN Cn1cc(CN2CCC[C@H](C(=O)c3ccc(F)cc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538720206 938690122 /nfs/dbraw/zinc/69/01/22/938690122.db2.gz MEKUMLOASOIZPJ-SFHVURJKSA-N 0 1 422.460 4.229 20 5 HIBDMN Cc1nn(-c2ccccc2)c(C)c1CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000538734306 938696724 /nfs/dbraw/zinc/69/67/24/938696724.db2.gz OXEKNGSIMFBXJQ-UHFFFAOYSA-N 0 1 406.486 4.441 20 5 HIBDMN CCOc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2COC)c2ccccc12 ZINC000538753981 938703312 /nfs/dbraw/zinc/70/33/12/938703312.db2.gz RPILTTZRDDWEKL-UHFFFAOYSA-N 0 1 416.455 4.094 20 5 HIBDMN COc1cc(CN2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c([N+](=O)[O-])cc1OC ZINC000538763018 938705021 /nfs/dbraw/zinc/70/50/21/938705021.db2.gz YUTKSYKKKFLHBX-CQSZACIVSA-N 0 1 417.531 4.327 20 5 HIBDMN COc1cccc([C@H](C)NCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 ZINC000539232539 938822619 /nfs/dbraw/zinc/82/26/19/938822619.db2.gz IAKRGHOSNLZRSP-ZDUSSCGKSA-N 0 1 412.471 4.016 20 5 HIBDMN C[C@H](N[C@@H](C)c1cccc(OCc2ccccn2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000539253479 938827040 /nfs/dbraw/zinc/82/70/40/938827040.db2.gz MHPMSDZLGFQFPV-IRXDYDNUSA-N 0 1 420.469 4.247 20 5 HIBDMN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccccc2-c2nnc(C(C)C)[nH]2)c1 ZINC000539520142 938873016 /nfs/dbraw/zinc/87/30/16/938873016.db2.gz RNIVHUVYHVFEHF-UHFFFAOYSA-N 0 1 409.446 4.219 20 5 HIBDMN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000539747663 938920104 /nfs/dbraw/zinc/92/01/04/938920104.db2.gz VUHSDXSFRFUDCU-CQSZACIVSA-N 0 1 417.897 4.434 20 5 HIBDMN Cc1c(NC(=O)N2CCC[C@H](c3nnc(-c4ccccc4)[nH]3)C2)cccc1[N+](=O)[O-] ZINC000539761364 938926760 /nfs/dbraw/zinc/92/67/60/938926760.db2.gz GRGIMCOQDOCRHH-INIZCTEOSA-N 0 1 406.446 4.100 20 5 HIBDMN Cc1ccc(CN2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)cc1[N+](=O)[O-] ZINC000539838422 938953613 /nfs/dbraw/zinc/95/36/13/938953613.db2.gz PUVQJUGCKQFJMA-UHFFFAOYSA-N 0 1 407.514 4.306 20 5 HIBDMN O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1ccc([N+](=O)[O-])cc1 ZINC000539893671 938969478 /nfs/dbraw/zinc/96/94/78/938969478.db2.gz YPMHJEFQCGOFQF-UHFFFAOYSA-N 0 1 400.263 4.378 20 5 HIBDMN COc1ccc(CN[C@H]2CCCOc3cc(Br)ccc32)cc1[N+](=O)[O-] ZINC000540194432 939119491 /nfs/dbraw/zinc/11/94/91/939119491.db2.gz IJFPEEQOLAESHY-HNNXBMFYSA-N 0 1 407.264 4.369 20 5 HIBDMN CCOc1ccccc1[C@@H](CC)N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000540350784 939202603 /nfs/dbraw/zinc/20/26/03/939202603.db2.gz DAPKXOSUTXUPPP-RHSMWYFYSA-N 0 1 401.463 4.070 20 5 HIBDMN COc1cc([C@@H](C)NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OCC(C)C ZINC000540364414 939211282 /nfs/dbraw/zinc/21/12/82/939211282.db2.gz BXQLVRINNFPNDB-MRXNPFEDSA-N 0 1 415.490 4.236 20 5 HIBDMN CC(C)Sc1ccc([C@@H](C)NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000540402572 939235383 /nfs/dbraw/zinc/23/53/83/939235383.db2.gz HWNBOPVYVUBTAY-CYBMUJFWSA-N 0 1 417.487 4.113 20 5 HIBDMN NC(=O)c1ccc(CN[C@@H](Cc2cccc(F)c2)c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000540409022 939238141 /nfs/dbraw/zinc/23/81/41/939238141.db2.gz GXOXCXZIKVZJHV-FQEVSTJZSA-N 0 1 411.408 4.046 20 5 HIBDMN Cc1ccc([C@@H](C)NCC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000540476788 939268464 /nfs/dbraw/zinc/26/84/64/939268464.db2.gz RIWKEBYPRSEHOK-MRXNPFEDSA-N 0 1 419.485 4.256 20 5 HIBDMN O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000541437665 939516196 /nfs/dbraw/zinc/51/61/96/939516196.db2.gz DEGIHUUZDLGDIS-ZDUSSCGKSA-N 0 1 418.881 4.399 20 5 HIBDMN C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000541541058 939548070 /nfs/dbraw/zinc/54/80/70/939548070.db2.gz AGGBJNZAUVKSMF-OAHLLOKOSA-N 0 1 416.909 4.355 20 5 HIBDMN C[C@H](C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)n[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000541799392 939636024 /nfs/dbraw/zinc/63/60/24/939636024.db2.gz XDRWSEJRSXHVIC-VIFPVBQESA-N 0 1 423.326 4.280 20 5 HIBDMN Cc1cc(N2CCC(n3cc(Br)cn3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000542118952 939720424 /nfs/dbraw/zinc/72/04/24/939720424.db2.gz CAKBLVNEWACFRH-UHFFFAOYSA-N 0 1 416.279 4.252 20 5 HIBDMN COc1cc(CN2CCC(c3ccc(C)nc3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000542132832 939724766 /nfs/dbraw/zinc/72/47/66/939724766.db2.gz AXOXEQVBTJHMHU-UHFFFAOYSA-N 0 1 407.417 4.288 20 5 HIBDMN CCc1ccc([C@@H](NC2CCN(C(=O)c3ccco3)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542479149 939830135 /nfs/dbraw/zinc/83/01/35/939830135.db2.gz RPMIBUVFUMQBLZ-QFIPXVFZSA-N 0 1 423.469 4.327 20 5 HIBDMN Cc1nc(-c2ccccc2)sc1[C@@H](C)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000542591297 939847091 /nfs/dbraw/zinc/84/70/91/939847091.db2.gz SXXBLAYZNODRHY-CQSZACIVSA-N 0 1 422.510 4.267 20 5 HIBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@@H](c3ncc[nH]3)C2)cc1OC ZINC000542915966 939877088 /nfs/dbraw/zinc/87/70/88/939877088.db2.gz UCFOJNIYQUAYSY-HZPDHXFCSA-N 0 1 402.495 4.131 20 5 HIBDMN CC[C@H](N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)[C@H]1CCCO1 ZINC000543491747 940082418 /nfs/dbraw/zinc/08/24/18/940082418.db2.gz BJGDHMWEGHXKEB-DFQSSKMNSA-N 0 1 417.893 4.475 20 5 HIBDMN COc1ccc2oc([C@@H](C)N[C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)c(C)c2c1 ZINC000543512141 940090500 /nfs/dbraw/zinc/09/05/00/940090500.db2.gz RIPYVUHIFOUPOJ-AUUYWEPGSA-N 0 1 409.442 4.114 20 5 HIBDMN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000543519877 940094999 /nfs/dbraw/zinc/09/49/99/940094999.db2.gz LQWZSNSKLPCKFE-ZDUSSCGKSA-N 0 1 410.499 4.285 20 5 HIBDMN CCc1nc2cc(S(=O)(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)ccc2o1 ZINC000543859113 940213144 /nfs/dbraw/zinc/21/31/44/940213144.db2.gz JZHBVRIRHYSWBJ-UHFFFAOYSA-N 0 1 415.349 4.118 20 5 HIBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(CCCn2ccnc2)CC1 ZINC000543991177 940286837 /nfs/dbraw/zinc/28/68/37/940286837.db2.gz MDDVARQGHPMBLU-INIZCTEOSA-N 0 1 410.478 4.095 20 5 HIBDMN C[C@H](C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000544511013 940462236 /nfs/dbraw/zinc/46/22/36/940462236.db2.gz NYQKYXKNEUVGTR-VBKZILBWSA-N 0 1 419.884 4.444 20 5 HIBDMN C[C@H](C(=O)Nc1nc(-c2cccc3ccccc32)n[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000544612995 940490493 /nfs/dbraw/zinc/49/04/93/940490493.db2.gz JAJOAIUPCKOPPS-LBPRGKRZSA-N 0 1 405.389 4.414 20 5 HIBDMN COc1cc(CNc2ncc(Cc3ccc(F)c(F)c3)s2)cc([N+](=O)[O-])c1O ZINC000544664208 940499986 /nfs/dbraw/zinc/49/99/86/940499986.db2.gz GOZJQIBOGVAILN-UHFFFAOYSA-N 0 1 407.398 4.247 20 5 HIBDMN CN(C)Cc1cc(-c2noc(-c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)ccc1F ZINC000545753797 940583950 /nfs/dbraw/zinc/58/39/50/940583950.db2.gz WRKBTKCGMFNNDL-UHFFFAOYSA-N 0 1 411.437 4.113 20 5 HIBDMN Cc1[nH]c(SCC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)nc1Cc1ccccc1 ZINC000549144517 941165055 /nfs/dbraw/zinc/16/50/55/941165055.db2.gz DDYPUXAKXLFWEI-UHFFFAOYSA-N 0 1 424.526 4.010 20 5 HIBDMN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3cnc(-c4ccc(Cl)cc4)s3)C2)nc1 ZINC000551557702 941501167 /nfs/dbraw/zinc/50/11/67/941501167.db2.gz GYJHEKDMWFBPJL-HNNXBMFYSA-N 0 1 415.906 4.453 20 5 HIBDMN CC[C@H](NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000551778291 941543850 /nfs/dbraw/zinc/54/38/50/941543850.db2.gz BFVZGPOHMBYWHK-KRWDZBQOSA-N 0 1 416.421 4.258 20 5 HIBDMN CC[C@@H](NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000551778292 941543994 /nfs/dbraw/zinc/54/39/94/941543994.db2.gz BFVZGPOHMBYWHK-QGZVFWFLSA-N 0 1 416.421 4.258 20 5 HIBDMN CCOc1ccc([C@@H](C)N[C@@H](C)c2ccc(S(=O)(=O)CC)cc2)cc1[N+](=O)[O-] ZINC000551812789 941550187 /nfs/dbraw/zinc/55/01/87/941550187.db2.gz XUFBYBGIJGHELU-LSDHHAIUSA-N 0 1 406.504 4.199 20 5 HIBDMN Cc1ccc2[nH]c3c(c2c1)C[C@@H](N[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)CC3 ZINC000552281949 941621637 /nfs/dbraw/zinc/62/16/37/941621637.db2.gz PSTXASNVBSCSSO-SBUREZEXSA-N 0 1 415.497 4.355 20 5 HIBDMN CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000553543495 941905564 /nfs/dbraw/zinc/90/55/64/941905564.db2.gz ZMVUQCQYSURWND-YVEFUNNKSA-N 0 1 412.321 4.154 20 5 HIBDMN Cc1cc(N2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000553611106 941920937 /nfs/dbraw/zinc/92/09/37/941920937.db2.gz JBPSVQGBUOBFBZ-WAIKUNEKSA-N 0 1 419.485 4.345 20 5 HIBDMN CC(C)N1CCc2c(c3ccccc3n2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000554788517 942238061 /nfs/dbraw/zinc/23/80/61/942238061.db2.gz FFEWCSYOKBHDEY-UHFFFAOYSA-N 0 1 417.469 4.414 20 5 HIBDMN Cc1c(NS(=O)(=O)c2cccc(Br)c2Cl)cccc1[N+](=O)[O-] ZINC000556185862 942815704 /nfs/dbraw/zinc/81/57/04/942815704.db2.gz PBOHNFUIDZYUBY-UHFFFAOYSA-N 0 1 405.657 4.120 20 5 HIBDMN Cc1nn(Cc2ccccc2)c(C)c1CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000556887710 942952346 /nfs/dbraw/zinc/95/23/46/942952346.db2.gz CDHDOLNLYNTHKI-UHFFFAOYSA-N 0 1 420.513 4.500 20 5 HIBDMN COc1ccc(CN2CC[C@@H](n3cc(C)cn3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000558576483 943604548 /nfs/dbraw/zinc/60/45/48/943604548.db2.gz BNYGFURFHWMZJU-OAQYLSRUSA-N 0 1 422.485 4.134 20 5 HIBDMN Cc1ccc2nc([C@H]3CCCN3Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)[nH]c2c1 ZINC000564294168 945503856 /nfs/dbraw/zinc/50/38/56/945503856.db2.gz QJVFDNLNNYMGJO-GOSISDBHSA-N 0 1 404.430 4.167 20 5 HIBDMN Cc1cc(N2CCN(C(=O)c3cc4occc4s3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000566341141 946005212 /nfs/dbraw/zinc/00/52/12/946005212.db2.gz YMNKLKYNSDUJPM-UHFFFAOYSA-N 0 1 422.466 4.222 20 5 HIBDMN CCC[C@@]1(CO)CCN(Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000566706253 946078204 /nfs/dbraw/zinc/07/82/04/946078204.db2.gz WIKZYPGPPORSKY-HSZRJFAPSA-N 0 1 414.502 4.167 20 5 HIBDMN O=[N+]([O-])c1cc(I)cc(CN[C@@H]2CCCc3sccc32)c1 ZINC000568451794 946556500 /nfs/dbraw/zinc/55/65/00/946556500.db2.gz RCRDHOIRGVPJSE-CQSZACIVSA-N 0 1 414.268 4.428 20 5 HIBDMN O=[N+]([O-])c1ccc2[nH]cc(CCNCc3csc(COc4ccccc4)n3)c2c1 ZINC000568556656 946594273 /nfs/dbraw/zinc/59/42/73/946594273.db2.gz KZSZHGMIIPPQAH-UHFFFAOYSA-N 0 1 408.483 4.444 20 5 HIBDMN COc1cc(CNCc2cc3ccccc3[nH]2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000569585827 946893329 /nfs/dbraw/zinc/89/33/29/946893329.db2.gz DGGIOFAWOCFROB-UHFFFAOYSA-N 0 1 409.364 4.316 20 5 HIBDMN Cc1ccc2nc([C@@H]3CCCN(c4ccc(C(=O)NC5CC5)cc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000571253184 947574204 /nfs/dbraw/zinc/57/42/04/947574204.db2.gz QYISZTGDOBGPOH-MRXNPFEDSA-N 0 1 419.485 4.056 20 5 HIBDMN Cc1ccc2nc([C@@H]3CCCN3Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)[nH]c2c1 ZINC000575785939 948707412 /nfs/dbraw/zinc/70/74/12/948707412.db2.gz AOOGYVHZJMXXPQ-SFHVURJKSA-N 0 1 404.430 4.167 20 5 HIBDMN C[C@H](C(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000575967011 948804742 /nfs/dbraw/zinc/80/47/42/948804742.db2.gz NRHZUUXQKYJOOO-KSSFIOAISA-N 0 1 421.419 4.108 20 5 HIBDMN Cc1ccc(C=Cc2n[nH]c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)n2)o1 ZINC000012839482 845894011 /nfs/dbraw/zinc/89/40/11/845894011.db2.gz VOKYSUPMQYEQRH-FNORWQNLSA-N 0 1 419.850 4.169 20 5 HIBDMN COc1ccc(S(=O)(=O)Nc2ccccc2SCC(F)(F)F)cc1[N+](=O)[O-] ZINC000025143928 846934189 /nfs/dbraw/zinc/93/41/89/846934189.db2.gz LUBOBTMYPBJOTD-UHFFFAOYSA-N 0 1 422.406 4.059 20 5 HIBDMN CCCCC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000025347816 846965567 /nfs/dbraw/zinc/96/55/67/846965567.db2.gz AHGPFUNXBMKULA-HNNXBMFYSA-N 0 1 419.503 4.094 20 5 HIBDMN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCc3sccc3[C@@H]2c2cccs2)c1 ZINC000025697832 847021301 /nfs/dbraw/zinc/02/13/01/847021301.db2.gz PVSQXTBZSGCIKQ-FOIQADDNSA-N 0 1 416.524 4.105 20 5 HIBDMN Cc1c(NC(=O)[C@H](C)N[C@@H](C)c2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000029568078 847580951 /nfs/dbraw/zinc/58/09/51/847580951.db2.gz DMIFRTMSOISSKR-STQMWFEESA-N 0 1 406.280 4.344 20 5 HIBDMN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@@H](c4nc5ccccc5o4)C3)o2)cc1 ZINC000029825272 847627210 /nfs/dbraw/zinc/62/72/10/847627210.db2.gz IXZZJPLJYIBHRD-OAHLLOKOSA-N 0 1 405.414 4.166 20 5 HIBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)CN(Cc2cccs2)Cc2cccs2)c1 ZINC000032775815 848074935 /nfs/dbraw/zinc/07/49/35/848074935.db2.gz CFIYZHNJXHRQIL-INIZCTEOSA-N 0 1 404.513 4.160 20 5 HIBDMN COc1cc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2)cc([N+](=O)[O-])c1O ZINC000035601148 848144746 /nfs/dbraw/zinc/14/47/46/848144746.db2.gz QJEJBCCFBPONEG-VAWYXSNFSA-N 0 1 415.405 4.179 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](C)c1ccccc1OC(C)C ZINC000055152137 849978540 /nfs/dbraw/zinc/97/85/40/849978540.db2.gz KVJHWORSORDGQR-GJZGRUSLSA-N 0 1 401.463 4.068 20 5 HIBDMN CCCOc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000056161821 850264482 /nfs/dbraw/zinc/26/44/82/850264482.db2.gz OFKKFIMKGKQPMO-CVEARBPZSA-N 0 1 415.490 4.378 20 5 HIBDMN CCCOc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000056161982 850264743 /nfs/dbraw/zinc/26/47/43/850264743.db2.gz NGJNAXDKKVZKJB-GJZGRUSLSA-N 0 1 401.463 4.070 20 5 HIBDMN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)cc1C ZINC000060443325 851101613 /nfs/dbraw/zinc/10/16/13/851101613.db2.gz PIQWQCXVQSSOAQ-UHFFFAOYSA-N 0 1 417.418 4.339 20 5 HIBDMN CCc1cc(N2CCN(C)C[C@H]2c2ccccc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064905082 852017402 /nfs/dbraw/zinc/01/74/02/852017402.db2.gz NVWWOPZGJHHXNX-NRFANRHFSA-N 0 1 403.486 4.107 20 5 HIBDMN COc1ccc(Cl)cc1-c1n[nH]c(SCCOc2ccccc2[N+](=O)[O-])n1 ZINC000071960124 852447609 /nfs/dbraw/zinc/44/76/09/852447609.db2.gz WAZWXCSXNGJIDA-UHFFFAOYSA-N 0 1 406.851 4.213 20 5 HIBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccccc1C[N@H+](C)C1CCCCC1 ZINC000071990113 852455792 /nfs/dbraw/zinc/45/57/92/852455792.db2.gz OEWUCZRKEDTMAV-UHFFFAOYSA-N 0 1 417.531 4.469 20 5 HIBDMN CN(C)CCN(CC1CCCCC1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000072034653 852477792 /nfs/dbraw/zinc/47/77/92/852477792.db2.gz CUJKZVGLRRTVIJ-UHFFFAOYSA-N 0 1 419.569 4.125 20 5 HIBDMN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC(CCc4ccc(O)cc4)CC3)o2)cc1 ZINC000105666354 852721250 /nfs/dbraw/zinc/72/12/50/852721250.db2.gz FKZFHXZPKAGSLX-UHFFFAOYSA-N 0 1 408.458 4.195 20 5 HIBDMN CCOC(=O)c1cc(C(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)cc([N+](=O)[O-])c1 ZINC000108229401 852830369 /nfs/dbraw/zinc/83/03/69/852830369.db2.gz JIFDYJOOXBZCHW-UHFFFAOYSA-N 0 1 420.381 4.160 20 5 HIBDMN O=C(CNC1(c2ccc(Br)cc2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116415163 853302836 /nfs/dbraw/zinc/30/28/36/853302836.db2.gz NTCSXLVNXGUTTM-UHFFFAOYSA-N 0 1 424.682 4.228 20 5 HIBDMN CN(CCC(=O)NC(c1ccccc1)c1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000195542716 853674505 /nfs/dbraw/zinc/67/45/05/853674505.db2.gz GPRRXCHQJUCLQX-UHFFFAOYSA-N 0 1 403.482 4.323 20 5 HIBDMN COc1cccc(N2CCC[C@H](NCc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)c1 ZINC000237512209 854048112 /nfs/dbraw/zinc/04/81/12/854048112.db2.gz UQNIDMWRIDEBAU-KRWDZBQOSA-N 0 1 424.526 4.486 20 5 HIBDMN Cn1cc(CNCc2sccc2Br)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237667871 854071947 /nfs/dbraw/zinc/07/19/47/854071947.db2.gz PSTXBYCEODVYRL-UHFFFAOYSA-N 0 1 407.293 4.109 20 5 HIBDMN O=C(NCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccccc1F ZINC000237805804 854101255 /nfs/dbraw/zinc/10/12/55/854101255.db2.gz VFOOPCGQKQBMON-UHFFFAOYSA-N 0 1 417.824 4.167 20 5 HIBDMN Cn1cc(CNCc2ccccc2OC(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237934682 854121623 /nfs/dbraw/zinc/12/16/23/854121623.db2.gz DIDOYFYTQBYTBF-UHFFFAOYSA-N 0 1 406.364 4.184 20 5 HIBDMN Cc1cccc(NC(=O)[C@@H]2CCCN(c3cc(C)nc4ccc([N+](=O)[O-])cc43)C2)n1 ZINC000302176206 854543376 /nfs/dbraw/zinc/54/33/76/854543376.db2.gz MYYAEPOTAPBZAF-MRXNPFEDSA-N 0 1 405.458 4.010 20 5 HIBDMN COc1cc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)ccc1OCc1ccccc1 ZINC000425997047 856038224 /nfs/dbraw/zinc/03/82/24/856038224.db2.gz ABINAXFAPWDWTR-UHFFFAOYSA-N 0 1 422.485 4.216 20 5 HIBDMN COc1cc(CN[C@H](C)[C@@H]2OCCc3sccc32)c([N+](=O)[O-])cc1OC(F)F ZINC000429148754 857532268 /nfs/dbraw/zinc/53/22/68/857532268.db2.gz FBYNKUOWEKVATL-QGHHPUGFSA-N 0 1 414.430 4.058 20 5 HIBDMN O=C(C[N@@H+](Cc1ccc(F)cc1)C1CCOCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000429711411 857845750 /nfs/dbraw/zinc/84/57/50/857845750.db2.gz PGUDMTSDFZCAQZ-UHFFFAOYSA-N 0 1 421.856 4.007 20 5 HIBDMN O=C(CN(Cc1ccc(F)cc1)C1CCOCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000429711411 857845753 /nfs/dbraw/zinc/84/57/53/857845753.db2.gz PGUDMTSDFZCAQZ-UHFFFAOYSA-N 0 1 421.856 4.007 20 5 HIBDMN COc1cc([N+](=O)[O-])ccc1CN[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000430203817 858081657 /nfs/dbraw/zinc/08/16/57/858081657.db2.gz GQBFYGKWXXBAHO-HNNXBMFYSA-N 0 1 406.442 4.102 20 5 HIBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000430211362 858083274 /nfs/dbraw/zinc/08/32/74/858083274.db2.gz IOSYAJLICWJSBK-LBPRGKRZSA-N 0 1 401.410 4.458 20 5 HIBDMN C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000430769523 858297871 /nfs/dbraw/zinc/29/78/71/858297871.db2.gz WCJHESZNLBTAEF-WHSLLNHNSA-N 0 1 402.516 4.482 20 5 HIBDMN O=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)c1cc(O)cc([N+](=O)[O-])c1 ZINC000432491782 859190470 /nfs/dbraw/zinc/19/04/70/859190470.db2.gz SDOBNRJOYAPDQT-UHFFFAOYSA-N 0 1 407.213 4.104 20 5 HIBDMN O=C(Nc1nc(-c2ccncc2)n[nH]1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000433110614 859525060 /nfs/dbraw/zinc/52/50/60/859525060.db2.gz PVRZWPHDYSEVLA-UHFFFAOYSA-N 0 1 418.438 4.178 20 5 HIBDMN CC1(C)C[C@@H](NCc2cccc(NC(=O)[C@H]3CCCO3)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433168079 859550620 /nfs/dbraw/zinc/55/06/20/859550620.db2.gz QGCACTVPSFXKTJ-NHCUHLMSSA-N 0 1 409.486 4.225 20 5 HIBDMN CC(=O)Nc1ccc(CNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cn1 ZINC000433199002 859564199 /nfs/dbraw/zinc/56/41/99/859564199.db2.gz ASMSYAIBQUYHMO-UHFFFAOYSA-N 0 1 410.405 4.169 20 5 HIBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H](c3nc4ccccc4n3C(C)C)C2)c1[N+](=O)[O-] ZINC000433771860 859885539 /nfs/dbraw/zinc/88/55/39/859885539.db2.gz VTOOZMPYTTTZHR-HNNXBMFYSA-N 0 1 424.505 4.392 20 5 HIBDMN O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000435881125 861139478 /nfs/dbraw/zinc/13/94/78/861139478.db2.gz SKNPTLQEPMFKON-DEOSSOPVSA-N 0 1 411.505 4.248 20 5 HIBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(c2cccc(Br)c2)CC1 ZINC000467842537 881683542 /nfs/dbraw/zinc/68/35/42/881683542.db2.gz YYFUYXYZORRNPG-UHFFFAOYSA-N 0 1 405.248 4.083 20 5 HIBDMN O=C(Nc1ccn(-c2ccncc2)n1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000440479755 865783667 /nfs/dbraw/zinc/78/36/67/865783667.db2.gz PCBNHHZNJPXNOI-UHFFFAOYSA-N 0 1 417.450 4.579 20 5 HIBDMN COc1ccc(OCCN2CCC(Oc3ccc(C)c(C)c3)CC2)c([N+](=O)[O-])c1 ZINC000441203941 866274386 /nfs/dbraw/zinc/27/43/86/866274386.db2.gz UPEFIWZAFDPSRS-UHFFFAOYSA-N 0 1 400.475 4.142 20 5 HIBDMN C[C@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000441265801 866340710 /nfs/dbraw/zinc/34/07/10/866340710.db2.gz UKIPWWWNEVZQQX-KPZWWZAWSA-N 0 1 407.392 4.296 20 5 HIBDMN COc1ccc(-c2ccc(CNc3ccc(N4CC[NH+]=C4[O-])cc3C)o2)c([N+](=O)[O-])c1 ZINC000441356174 866426762 /nfs/dbraw/zinc/42/67/62/866426762.db2.gz HEZNFUBSAKNZSD-UHFFFAOYSA-N 0 1 422.441 4.314 20 5 HIBDMN CC1CCC(N(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]2CCCO2)CC1 ZINC000441442336 866519119 /nfs/dbraw/zinc/51/91/19/866519119.db2.gz BDYWQQBJTCYTBV-GXOAENINSA-N 0 1 400.479 4.205 20 5 HIBDMN Cc1c(NC(=O)CCN2CC[C@@H](Oc3ccccc3Cl)C2)cccc1[N+](=O)[O-] ZINC000443639587 868224676 /nfs/dbraw/zinc/22/46/76/868224676.db2.gz LIANEBLNZPMVNV-OAHLLOKOSA-N 0 1 403.866 4.039 20 5 HIBDMN Cc1c(NC(=O)CCN2CC[C@H](Oc3ccccc3Cl)C2)cccc1[N+](=O)[O-] ZINC000443639586 868225640 /nfs/dbraw/zinc/22/56/40/868225640.db2.gz LIANEBLNZPMVNV-HNNXBMFYSA-N 0 1 403.866 4.039 20 5 HIBDMN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@@H](c4nc5ccc(F)cc5o4)C3)o2)cc1 ZINC000443644612 868233397 /nfs/dbraw/zinc/23/33/97/868233397.db2.gz FYDLXOVGQFEXAW-CQSZACIVSA-N 0 1 423.404 4.305 20 5 HIBDMN CCc1[nH]nc(C(=O)N(C)[C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000444353617 868781591 /nfs/dbraw/zinc/78/15/91/868781591.db2.gz UGVYDLOUNGNKTE-DZGCQCFKSA-N 0 1 410.396 4.307 20 5 HIBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000444659573 868936849 /nfs/dbraw/zinc/93/68/49/868936849.db2.gz DCRCIBGZXCQZAG-ZDUSSCGKSA-N 0 1 417.416 4.327 20 5 HIBDMN O=[N+]([O-])c1ccc2[nH]c(CNCC3=Cc4cc(Cl)cc(Cl)c4OC3)nc2c1 ZINC000446835015 870751116 /nfs/dbraw/zinc/75/11/16/870751116.db2.gz JCVIYVPDOFKZCO-UHFFFAOYSA-N 0 1 405.241 4.344 20 5 HIBDMN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC[C@@H]([C@H](O)C(F)(F)F)C2)s1 ZINC000446977768 870875529 /nfs/dbraw/zinc/87/55/29/870875529.db2.gz RIRYBXGMWBZFHV-PXAZEXFGSA-N 0 1 400.422 4.459 20 5 HIBDMN CN(C)[C@H](CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])c1ccsc1 ZINC000447674399 871604641 /nfs/dbraw/zinc/60/46/41/871604641.db2.gz CFBWPSVDCPOKOC-LLVKDONJSA-N 0 1 410.368 4.420 20 5 HIBDMN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NC[C@@H](c1ccco1)N1CCCC1 ZINC000447674183 871605006 /nfs/dbraw/zinc/60/50/06/871605006.db2.gz ABBWMBKOVDIVAE-ZDUSSCGKSA-N 0 1 420.338 4.486 20 5 HIBDMN Cc1ccc2nc(CNc3cc(C(F)(F)C(F)(F)F)ncc3[N+](=O)[O-])[nH]c2c1 ZINC000447688048 871622054 /nfs/dbraw/zinc/62/20/54/871622054.db2.gz WKIBGQYBSYXUKI-UHFFFAOYSA-N 0 1 401.295 4.441 20 5 HIBDMN C[C@H](CCc1ccccc1[N+](=O)[O-])NCc1csc(CNC(=O)c2ccccc2)n1 ZINC000468560163 882612610 /nfs/dbraw/zinc/61/26/10/882612610.db2.gz MCLVKQGXMSPHQM-MRXNPFEDSA-N 0 1 424.526 4.092 20 5 HIBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CCCOc2ccccc21 ZINC000462265020 875390769 /nfs/dbraw/zinc/39/07/69/875390769.db2.gz FDMBOCFJOQHCTR-ZDUSSCGKSA-N 0 1 417.270 4.094 20 5 HIBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC1CCC(C(F)(F)F)CC1 ZINC000462460544 875565387 /nfs/dbraw/zinc/56/53/87/875565387.db2.gz SPXADJCGWKVHIP-UHFFFAOYSA-N 0 1 421.224 4.301 20 5 HIBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CCc2cc(F)ccc21 ZINC000462514823 875631419 /nfs/dbraw/zinc/63/14/19/875631419.db2.gz VQUBMAYWOMTIMA-ZDUSSCGKSA-N 0 1 405.234 4.007 20 5 HIBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCc1ccc(C(F)F)cc1 ZINC000462688014 875780152 /nfs/dbraw/zinc/78/01/52/875780152.db2.gz CMTGZIHCVBKCQD-UHFFFAOYSA-N 0 1 411.213 4.318 20 5 HIBDMN COc1cccc([C@H](C)N2CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CC2)c1 ZINC000462820610 875860490 /nfs/dbraw/zinc/86/04/90/875860490.db2.gz VPLWDNBIBNTBNC-AWEZNQCLSA-N 0 1 407.417 4.088 20 5 HIBDMN O=[N+]([O-])c1ccccc1OCc1nc(-c2ccc3[nH]c(-c4cscn4)nc3c2)no1 ZINC000463165952 876220212 /nfs/dbraw/zinc/22/02/12/876220212.db2.gz YOXIVVLCWADUBY-UHFFFAOYSA-N 0 1 420.410 4.224 20 5 HIBDMN COc1ccc(-c2nc(-c3ccc4[nH]c(-c5cscn5)nc4c3)no2)cc1[N+](=O)[O-] ZINC000463180271 876237544 /nfs/dbraw/zinc/23/75/44/876237544.db2.gz DIGBXBROAXVGMQ-UHFFFAOYSA-N 0 1 420.410 4.320 20 5 HIBDMN COc1cc(CNC(C)(C)COc2ccc(C(F)(F)F)cn2)c([N+](=O)[O-])cc1F ZINC000464497960 877717791 /nfs/dbraw/zinc/71/77/91/877717791.db2.gz OJBUPOCFPMWUNH-UHFFFAOYSA-N 0 1 417.359 4.104 20 5 HIBDMN CC(C)(C(=O)Nc1nc2ccc(Br)cc2[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000464558334 877774821 /nfs/dbraw/zinc/77/48/21/877774821.db2.gz QIUZVVFABMAMSM-UHFFFAOYSA-N 0 1 403.236 4.150 20 5 HIBDMN Cc1nn(C(C)(C)C)cc1[C@H](C)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000464609179 877836342 /nfs/dbraw/zinc/83/63/42/877836342.db2.gz OZPPGEDEGCNKLT-WCQYABFASA-N 0 1 407.902 4.186 20 5 HIBDMN COc1ccc(NC(=O)CCN2CCC(=Cc3ccccc3F)CC2)c([N+](=O)[O-])c1 ZINC000464879277 878170750 /nfs/dbraw/zinc/17/07/50/878170750.db2.gz XPUHVOWYWGVBNW-UHFFFAOYSA-N 0 1 413.449 4.251 20 5 HIBDMN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](NC[C@H]1CCCS1)c1ccccc1 ZINC000464985873 878335590 /nfs/dbraw/zinc/33/55/90/878335590.db2.gz QXBWYRSSORGLPZ-CRAIPNDOSA-N 0 1 405.907 4.413 20 5 HIBDMN Cc1ccc2nc(CNC(=O)c3ccc(N4C[C@@H](C)C[C@H](C)C4)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000465198127 878601618 /nfs/dbraw/zinc/60/16/18/878601618.db2.gz TXRGRWGYTUWVSC-HOTGVXAUSA-N 0 1 421.501 4.192 20 5 HIBDMN COc1cc(CNCc2cccc3cc[nH]c32)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000466914182 880683223 /nfs/dbraw/zinc/68/32/23/880683223.db2.gz PHSSLNYLWBVWQW-UHFFFAOYSA-N 0 1 409.364 4.316 20 5 HIBDMN Cc1ccc2nc(CNC(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)[nH]c2c1 ZINC000467127762 880880267 /nfs/dbraw/zinc/88/02/67/880880267.db2.gz IKLHUVUUCNJKJJ-UHFFFAOYSA-N 0 1 415.453 4.322 20 5 HIBDMN CCOc1ccc([C@@H](C)NCc2cc(Cl)ccc2N2CCOCC2)cc1[N+](=O)[O-] ZINC000467333800 881083475 /nfs/dbraw/zinc/08/34/75/881083475.db2.gz DIXZHCFBWYAQIB-OAHLLOKOSA-N 0 1 419.909 4.334 20 5 HIBDMN COc1ccc(-c2n[nH]c(SCc3cccc([N+](=O)[O-])c3)n2)cc1Br ZINC000473510955 888239583 /nfs/dbraw/zinc/23/95/83/888239583.db2.gz RKUKCODGTJSLOQ-UHFFFAOYSA-N 0 1 421.276 4.443 20 5 HIBDMN Cc1cc(NC(=O)N2CCC[C@H](c3nnc(-c4ccccc4)[nH]3)C2)ccc1[N+](=O)[O-] ZINC000473764391 888560392 /nfs/dbraw/zinc/56/03/92/888560392.db2.gz MKLYUABKUCVDGG-INIZCTEOSA-N 0 1 406.446 4.100 20 5 HIBDMN Cc1cc(NC(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000473780562 888585217 /nfs/dbraw/zinc/58/52/17/888585217.db2.gz BNNMVKARQMDHET-UHFFFAOYSA-N 0 1 406.446 4.100 20 5 HIBDMN COc1c(C(=O)Nc2ccccc2-c2nc(-c3ccccc3)n[nH]2)cccc1[N+](=O)[O-] ZINC000475024963 889877000 /nfs/dbraw/zinc/87/70/00/889877000.db2.gz VQYBIOYJJDFWDY-UHFFFAOYSA-N 0 1 415.409 4.308 20 5 HIBDMN CCN(Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)[C@H](C)c1cc2ccccc2o1 ZINC000475565788 890496100 /nfs/dbraw/zinc/49/61/00/890496100.db2.gz MYCPTZROHFILIC-OAHLLOKOSA-N 0 1 412.442 4.476 20 5 HIBDMN CC[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@@]2(CCOC2)O1 ZINC000475628181 890567286 /nfs/dbraw/zinc/56/72/86/890567286.db2.gz ZUHWENRATKTREY-FOIQADDNSA-N 0 1 406.866 4.278 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](C)c1cc2cccc(F)c2o1 ZINC000475701430 890640334 /nfs/dbraw/zinc/64/03/34/890640334.db2.gz LSAPDXJRWDOJOU-RYUDHWBXSA-N 0 1 401.394 4.167 20 5 HIBDMN COC(=O)COc1ccc(CN2CCCCC[C@@H]2c2ccc(C)o2)cc1[N+](=O)[O-] ZINC000475711179 890650067 /nfs/dbraw/zinc/65/00/67/890650067.db2.gz VDZXZIDLTQTESK-QGZVFWFLSA-N 0 1 402.447 4.165 20 5 HIBDMN CCOc1ccc([C@H](C)NCc2cc3c(c(Br)c2)OCO3)cc1[N+](=O)[O-] ZINC000504893388 913622308 /nfs/dbraw/zinc/62/23/08/913622308.db2.gz FEKDKDFWMPHDGN-NSHDSACASA-N 0 1 423.263 4.336 20 5 HIBDMN COc1cc(C(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)cc([N+](=O)[O-])c1C ZINC000478584315 893860261 /nfs/dbraw/zinc/86/02/61/893860261.db2.gz VVCOYHZSKFWBNM-QFIPXVFZSA-N 0 1 416.437 4.308 20 5 HIBDMN C[C@@H]1CN(Cc2ccccc2CNc2ccc3ncccc3c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000480431825 895825068 /nfs/dbraw/zinc/82/50/68/895825068.db2.gz LMHZUBZTTBNGCP-IAGOWNOFSA-N 0 1 406.486 4.364 20 5 HIBDMN C[C@H](NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1 ZINC000480880574 896237968 /nfs/dbraw/zinc/23/79/68/896237968.db2.gz DLKPGWACPDUGIR-KRWDZBQOSA-N 0 1 404.470 4.480 20 5 HIBDMN C[C@@H](c1ccc(F)c(F)c1)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000481180278 896518114 /nfs/dbraw/zinc/51/81/14/896518114.db2.gz WSTSITMPYDJRMM-ZDUSSCGKSA-N 0 1 401.417 4.023 20 5 HIBDMN Cc1cccc(CCN[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)n1 ZINC000481614799 896996495 /nfs/dbraw/zinc/99/64/95/896996495.db2.gz QVWDRVPFBNGSOS-OAQYLSRUSA-N 0 1 424.888 4.464 20 5 HIBDMN CCC[C@@H](N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000482264821 897751025 /nfs/dbraw/zinc/75/10/25/897751025.db2.gz NJOCXTYUAXPAPB-MGPUTAFESA-N 0 1 405.520 4.037 20 5 HIBDMN COc1cc(CN[C@@H](c2ccccc2)[C@@H]2CCOC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000505502998 914192455 /nfs/dbraw/zinc/19/24/55/914192455.db2.gz JRVPJKQLZUVVOR-VFNWGFHPSA-N 0 1 422.428 4.115 20 5 HIBDMN O=[N+]([O-])c1ccc2[nH]c(CN3CCC[C@@H](c4nc(C5CCCCC5)n[nH]4)C3)nc2c1 ZINC000482697837 898298344 /nfs/dbraw/zinc/29/83/44/898298344.db2.gz LGVNBLQWLLIOJA-OAHLLOKOSA-N 0 1 409.494 4.017 20 5 HIBDMN O=[N+]([O-])c1ccc2[nH]c(CN3CCC[C@@H](c4n[nH]c(C5CCCCC5)n4)C3)nc2c1 ZINC000482697837 898298357 /nfs/dbraw/zinc/29/83/57/898298357.db2.gz LGVNBLQWLLIOJA-OAHLLOKOSA-N 0 1 409.494 4.017 20 5 HIBDMN CO[C@]1(C)CCCN([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000483037882 898705310 /nfs/dbraw/zinc/70/53/10/898705310.db2.gz FGJJLQKKJDBDPA-FYYLOGMGSA-N 0 1 411.502 4.474 20 5 HIBDMN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000505752454 914426134 /nfs/dbraw/zinc/42/61/34/914426134.db2.gz FIPKMWFBFONOOA-UHFFFAOYSA-N 0 1 413.543 4.445 20 5 HIBDMN O=C(Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505792095 914456908 /nfs/dbraw/zinc/45/69/08/914456908.db2.gz BKCBTJVATZROQZ-UHFFFAOYSA-N 0 1 401.394 4.211 20 5 HIBDMN Cc1c(NS(=O)(=O)c2cccc(Cl)c2)cc(Br)cc1[N+](=O)[O-] ZINC000485395933 900692091 /nfs/dbraw/zinc/69/20/91/900692091.db2.gz IEVNRXNNCOJZAD-UHFFFAOYSA-N 0 1 405.657 4.120 20 5 HIBDMN O=[N+]([O-])c1ccc(N2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)nc1-c1ccc(F)cc1 ZINC000485419582 900716871 /nfs/dbraw/zinc/71/68/71/900716871.db2.gz YUKPISIOTQPNTE-HNNXBMFYSA-N 0 1 408.437 4.175 20 5 HIBDMN O=[N+]([O-])c1ccc(N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)nc1-c1ccc(F)cc1 ZINC000485419582 900716882 /nfs/dbraw/zinc/71/68/82/900716882.db2.gz YUKPISIOTQPNTE-HNNXBMFYSA-N 0 1 408.437 4.175 20 5 HIBDMN CC[C@@H](NCC(=O)Nc1c(C)cccc1[N+](=O)[O-])c1cc(F)cc(Br)c1 ZINC000485808369 901058717 /nfs/dbraw/zinc/05/87/17/901058717.db2.gz YQSUNKJGJGJSMX-OAHLLOKOSA-N 0 1 424.270 4.484 20 5 HIBDMN Cc1ccc(CNCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)c(=O)n1C ZINC000487182493 902089793 /nfs/dbraw/zinc/08/97/93/902089793.db2.gz UXRDKFTYJQSGGE-UHFFFAOYSA-N 0 1 413.861 4.337 20 5 HIBDMN O=[N+]([O-])c1cc(CNCc2ccc(OC[C@@H]3CCCO3)cc2)cc(C(F)(F)F)c1 ZINC000487186770 902091329 /nfs/dbraw/zinc/09/13/29/902091329.db2.gz KZCJHIGAUZQPNQ-IBGZPJMESA-N 0 1 410.392 4.461 20 5 HIBDMN C[C@@H](N[C@@H](C)c1ccc(Oc2cccnc2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000487845616 902403257 /nfs/dbraw/zinc/40/32/57/902403257.db2.gz XALQYOJUJOIVOR-JKSUJKDBSA-N 0 1 406.442 4.460 20 5 HIBDMN CC1(C)CC[C@H](CN[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)O1 ZINC000488181777 902670123 /nfs/dbraw/zinc/67/01/23/902670123.db2.gz FWGRNHAGDYNYFZ-VQIMIIECSA-N 0 1 417.893 4.475 20 5 HIBDMN COc1c(F)cc(S(=O)(=O)Nc2ccc3nc(C4CC4)sc3c2)cc1[N+](=O)[O-] ZINC000488281609 902744938 /nfs/dbraw/zinc/74/49/38/902744938.db2.gz MYXUNLYKEZDMOI-UHFFFAOYSA-N 0 1 423.447 4.030 20 5 HIBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000489867464 903640320 /nfs/dbraw/zinc/64/03/20/903640320.db2.gz AFSIWBRVLOPEQR-KRWDZBQOSA-N 0 1 413.543 4.443 20 5 HIBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000490361666 903954685 /nfs/dbraw/zinc/95/46/85/903954685.db2.gz FFVQIQQGESBOQO-UONOGXRCSA-N 0 1 417.347 4.141 20 5 HIBDMN COCCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000506196411 914841485 /nfs/dbraw/zinc/84/14/85/914841485.db2.gz YKJHBQOPZORMIK-LBPRGKRZSA-N 0 1 412.364 4.169 20 5 HIBDMN O=C(C1CCCCC1)N1CC[C@@H](N[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000493299882 905077641 /nfs/dbraw/zinc/07/76/41/905077641.db2.gz BQSOVDRDCLLOPT-FYYLOGMGSA-N 0 1 407.514 4.455 20 5 HIBDMN C[C@@H]1[C@@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CCN1Cc1ccccc1 ZINC000494059023 905397451 /nfs/dbraw/zinc/39/74/51/905397451.db2.gz HOOHEEWNTOWCOQ-VGSWGCGISA-N 0 1 411.505 4.074 20 5 HIBDMN Cc1ccccc1[C@@H](CN1CCOCC1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494480758 905764287 /nfs/dbraw/zinc/76/42/87/905764287.db2.gz AGSRFHGGOGFTLC-HXUWFJFHSA-N 0 1 423.435 4.085 20 5 HIBDMN CCN1CCN(c2ccc(F)cc2[C@H](C)NCc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000494808902 906009438 /nfs/dbraw/zinc/00/94/38/906009438.db2.gz MWFJKPCDKIQRQN-HNNXBMFYSA-N 0 1 420.916 4.380 20 5 HIBDMN O=C(Nc1ccc(Br)cc1)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000512563362 921238860 /nfs/dbraw/zinc/23/88/60/921238860.db2.gz DUWURNHTKUTICS-UHFFFAOYSA-N 0 1 418.291 4.208 20 5 HIBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000512566164 921241052 /nfs/dbraw/zinc/24/10/52/921241052.db2.gz VNKCQKQGVIZWJU-KRWDZBQOSA-N 0 1 406.446 4.366 20 5 HIBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000512566164 921241060 /nfs/dbraw/zinc/24/10/60/921241060.db2.gz VNKCQKQGVIZWJU-KRWDZBQOSA-N 0 1 406.446 4.366 20 5 HIBDMN CCOC1CC2(C1)CCN(Cc1cc(OC)c(OC[C@@H](C)CC)cc1[N+](=O)[O-])C2 ZINC000512812573 921317288 /nfs/dbraw/zinc/31/72/88/921317288.db2.gz WBWLAXFWRIRBIF-GENZYMQKSA-N 0 1 406.523 4.419 20 5 HIBDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000497898886 907371268 /nfs/dbraw/zinc/37/12/68/907371268.db2.gz NFENDIUCZGAEJP-UHFFFAOYSA-N 0 1 401.373 4.428 20 5 HIBDMN COc1cccc([C@@H]2[C@H](NC(=O)Nc3cc([N+](=O)[O-])ccc3C)CCN2C2CC2)c1 ZINC000498386714 907873627 /nfs/dbraw/zinc/87/36/27/907873627.db2.gz KCIUNURHVNAQMK-TZIWHRDSSA-N 0 1 410.474 4.011 20 5 HIBDMN COc1ccc(-c2ccc(CNCc3ccc(C[S@](C)=O)cc3)o2)c([N+](=O)[O-])c1 ZINC000513071109 921524422 /nfs/dbraw/zinc/52/44/22/921524422.db2.gz VZHLUUJDFCWSEJ-LJAQVGFWSA-N 0 1 414.483 4.032 20 5 HIBDMN Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2Br)ccc1[N+](=O)[O-] ZINC000500477847 909881775 /nfs/dbraw/zinc/88/17/75/909881775.db2.gz ZMMMJLLMYCAIPW-UHFFFAOYSA-N 0 1 405.657 4.120 20 5 HIBDMN CN(C)[C@@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000500566376 909933108 /nfs/dbraw/zinc/93/31/08/909933108.db2.gz ZMZAXRATJLFLIK-SFHVURJKSA-N 0 1 423.435 4.310 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000501008917 910229895 /nfs/dbraw/zinc/22/98/95/910229895.db2.gz VLVWSFUVFDRYHC-GOSISDBHSA-N 0 1 418.881 4.215 20 5 HIBDMN CCCN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502939344 911925675 /nfs/dbraw/zinc/92/56/75/911925675.db2.gz LSIJNYVHNXJULV-INIZCTEOSA-N 0 1 423.473 4.274 20 5 HIBDMN O=C(NC1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1)c1ccccc1 ZINC000506311071 914899868 /nfs/dbraw/zinc/89/98/68/914899868.db2.gz QNJWATWUUYQTDP-UHFFFAOYSA-N 0 1 405.454 4.249 20 5 HIBDMN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000506481339 915085819 /nfs/dbraw/zinc/08/58/19/915085819.db2.gz OZETXQMUWYIDJR-UHFFFAOYSA-N 0 1 405.495 4.228 20 5 HIBDMN Cn1cc(CN(Cc2cccs2)C[C@@H]2CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506742500 915432004 /nfs/dbraw/zinc/43/20/04/915432004.db2.gz GZQSBFCKUMZCNW-IBGZPJMESA-N 0 1 412.515 4.238 20 5 HIBDMN O=[N+]([O-])c1cccc(-c2nc(CN3CCN(CCc4cccs4)CC3)cs2)c1 ZINC000507067808 915850533 /nfs/dbraw/zinc/85/05/33/915850533.db2.gz RQNKHNGMWXMQHS-UHFFFAOYSA-N 0 1 414.556 4.140 20 5 HIBDMN COc1cccc(COc2cccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)c2C)c1 ZINC000507094011 915865883 /nfs/dbraw/zinc/86/58/83/915865883.db2.gz KCOZQJCQWVUWKF-UHFFFAOYSA-N 0 1 408.410 4.449 20 5 HIBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CCCc1cc(-c2ccccc2)no1 ZINC000507177833 915922972 /nfs/dbraw/zinc/92/29/72/915922972.db2.gz HEAQVOVKTVMODI-MRXNPFEDSA-N 0 1 408.458 4.141 20 5 HIBDMN C[C@@H]1CSC[C@@H]1N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000507259865 916021709 /nfs/dbraw/zinc/02/17/09/916021709.db2.gz BXZFMQMGLJYYEF-OCBCSQNSSA-N 0 1 405.907 4.269 20 5 HIBDMN Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000508322189 917128555 /nfs/dbraw/zinc/12/85/55/917128555.db2.gz NAFFJOMZBZGOOJ-CRAIPNDOSA-N 0 1 420.473 4.296 20 5 HIBDMN Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)cc1[N+](=O)[O-] ZINC000508322189 917128566 /nfs/dbraw/zinc/12/85/66/917128566.db2.gz NAFFJOMZBZGOOJ-CRAIPNDOSA-N 0 1 420.473 4.296 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(CN(C)Cc2ccccc2)c1 ZINC000508533074 917314469 /nfs/dbraw/zinc/31/44/69/917314469.db2.gz UQJQBPUHLOSOIC-UHFFFAOYSA-N 0 1 405.454 4.488 20 5 HIBDMN O=C(Nc1ccc(Cl)cn1)C1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000509346947 918012342 /nfs/dbraw/zinc/01/23/42/918012342.db2.gz ZDSOBRJJXNBABR-HWKANZROSA-N 0 1 400.866 4.007 20 5 HIBDMN Cn1cnnc1C1CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000509400897 918067465 /nfs/dbraw/zinc/06/74/65/918067465.db2.gz QYHOILYWIRVECI-UHFFFAOYSA-N 0 1 411.437 4.034 20 5 HIBDMN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000511496257 920105676 /nfs/dbraw/zinc/10/56/76/920105676.db2.gz UGRDPPXTAOTBAF-NVXWUHKLSA-N 0 1 416.547 4.235 20 5 HIBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000511550762 920182015 /nfs/dbraw/zinc/18/20/15/920182015.db2.gz AZSBAFLJVWHEFK-LJQANCHMSA-N 0 1 423.391 4.481 20 5 HIBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)c1 ZINC000511711661 920376694 /nfs/dbraw/zinc/37/66/94/920376694.db2.gz HTTZDEPCTHZFJU-UHFFFAOYSA-N 0 1 405.819 4.236 20 5 HIBDMN CN(Cc1ccccc1)C(=O)CNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000513637546 921961643 /nfs/dbraw/zinc/96/16/43/921961643.db2.gz LEWMGWZDWNRZNP-UHFFFAOYSA-N 0 1 423.444 4.274 20 5 HIBDMN Cc1cc(C(=O)NC2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)c(C)o1 ZINC000514094149 922416522 /nfs/dbraw/zinc/41/65/22/922416522.db2.gz MAGHEMRNTCMULY-UHFFFAOYSA-N 0 1 423.469 4.459 20 5 HIBDMN CCOc1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OCC ZINC000514786589 922802212 /nfs/dbraw/zinc/80/22/12/922802212.db2.gz HEHPTPZQQBGTHC-LSDHHAIUSA-N 0 1 401.463 4.070 20 5 HIBDMN COc1ccc([C@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)N2CCCCC2)cc1 ZINC000515113687 922925290 /nfs/dbraw/zinc/92/52/90/922925290.db2.gz VPRWWIIVBYMJNA-NRFANRHFSA-N 0 1 412.490 4.261 20 5 HIBDMN O=c1ccccn1Cc1ccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000517535045 924250518 /nfs/dbraw/zinc/25/05/18/924250518.db2.gz WYOSBUQGNKEKIY-UHFFFAOYSA-N 0 1 415.449 4.355 20 5 HIBDMN O=C(Nc1nnc(-c2cccc(Br)c2)s1)c1ccc([N+](=O)[O-])s1 ZINC000517666200 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ZINC000534938016 932847307 /nfs/dbraw/zinc/84/73/07/932847307.db2.gz DQJZVZSECPLREY-MRXNPFEDSA-N 0 1 408.458 4.198 20 5 HIBDMN Cc1ccc2[nH]c([C@H]3CCCN(Cc4nc(-c5ccc([N+](=O)[O-])cc5)no4)C3)nc2c1 ZINC000535665702 933310664 /nfs/dbraw/zinc/31/06/64/933310664.db2.gz LPCHLTMHNRIESJ-INIZCTEOSA-N 0 1 418.457 4.209 20 5 HIBDMN Cc1ccc2nc([C@H]3CCCN(Cc4nc(-c5ccc([N+](=O)[O-])cc5)no4)C3)[nH]c2c1 ZINC000535665702 933310668 /nfs/dbraw/zinc/31/06/68/933310668.db2.gz LPCHLTMHNRIESJ-INIZCTEOSA-N 0 1 418.457 4.209 20 5 HIBDMN Cc1cc(C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-] ZINC000535669870 933315712 /nfs/dbraw/zinc/31/57/12/933315712.db2.gz DIAPGXWHHQUXEI-BEFAXECRSA-N 0 1 405.857 4.119 20 5 HIBDMN Cc1cc(C(=O)NC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-] ZINC000535669870 933315730 /nfs/dbraw/zinc/31/57/30/933315730.db2.gz DIAPGXWHHQUXEI-BEFAXECRSA-N 0 1 405.857 4.119 20 5 HIBDMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000536058809 933607695 /nfs/dbraw/zinc/60/76/95/933607695.db2.gz DNGZSIDVNZZCPX-UHFFFAOYSA-N 0 1 402.414 4.244 20 5 HIBDMN O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1ccc([N+](=O)[O-])s1 ZINC000537688112 938354711 /nfs/dbraw/zinc/35/47/11/938354711.db2.gz NZLJNYLEUSHJBT-UHFFFAOYSA-N 0 1 406.292 4.439 20 5 HIBDMN C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000537918663 938413433 /nfs/dbraw/zinc/41/34/33/938413433.db2.gz CZJUQGCMCFUZFC-IAGOWNOFSA-N 0 1 417.531 4.181 20 5 HIBDMN CCCOc1ccc([C@@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000538151109 938522903 /nfs/dbraw/zinc/52/29/03/938522903.db2.gz OGYUVPFLXJGXAU-CYBMUJFWSA-N 0 1 421.881 4.335 20 5 HIBDMN C[C@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(-c2cccnc2)cc1 ZINC000538233620 938567969 /nfs/dbraw/zinc/56/79/69/938567969.db2.gz XKXXGUJOUVHZJX-KSFYIVLOSA-N 0 1 402.454 4.113 20 5 HIBDMN C[C@@H](N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000538581315 938654879 /nfs/dbraw/zinc/65/48/79/938654879.db2.gz 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ZINC000301087675 854292551 /nfs/dbraw/zinc/29/25/51/854292551.db2.gz NHOPMGNSFZRENB-LJQANCHMSA-N 0 1 413.865 4.146 20 5 HIBDMN C[N@H+]1CCC[C@H](CNc2ncc(Br)cc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000301692937 854446268 /nfs/dbraw/zinc/44/62/68/854446268.db2.gz ONGCPZCMBLWIRG-ABAIWWIYSA-N 0 1 411.325 4.309 20 5 HIBDMN COc1ccc(-c2n[nH]c(Sc3nccc(C)c3[N+](=O)[O-])n2)cc1Br ZINC000302624897 854593562 /nfs/dbraw/zinc/59/35/62/854593562.db2.gz AQVCEFYVNMSWOW-UHFFFAOYSA-N 0 1 422.264 4.006 20 5 HIBDMN COc1ccc(-c2n[nH]c(Sc3ccc([N+](=O)[O-])c(C)n3)n2)cc1Br ZINC000302691639 854604930 /nfs/dbraw/zinc/60/49/30/854604930.db2.gz RTIFUNVJCLRSJT-UHFFFAOYSA-N 0 1 422.264 4.006 20 5 HIBDMN C[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1nc(-c2ccccc2)cs1 ZINC000303348015 854885593 /nfs/dbraw/zinc/88/55/93/854885593.db2.gz WZDZTHXEDVHOHA-LLVKDONJSA-N 0 1 423.903 4.411 20 5 HIBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N(Cc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000303403016 854910297 /nfs/dbraw/zinc/91/02/97/854910297.db2.gz 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COc1ccc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)cc1[N+](=O)[O-] ZINC000437496397 862852466 /nfs/dbraw/zinc/85/24/66/862852466.db2.gz NOJFHALHIRHEDA-UHFFFAOYSA-N 0 1 415.409 4.308 20 5 HIBDMN COc1ccc(-c2ccc(CN3C[C@H](C)O[C@@]4(CCO[C@H](C)C4)C3)o2)c([N+](=O)[O-])c1 ZINC000430765694 858296355 /nfs/dbraw/zinc/29/63/55/858296355.db2.gz GGEKLFBBSPZTOV-ZMPRRUGASA-N 0 1 416.474 4.022 20 5 HIBDMN Cc1c(Cl)cc(S(=O)(=O)Nc2ccc3nc(C4CC4)oc3c2)cc1[N+](=O)[O-] ZINC000432207941 859047018 /nfs/dbraw/zinc/04/70/18/859047018.db2.gz KUHBWVBKBLDMDL-UHFFFAOYSA-N 0 1 407.835 4.376 20 5 HIBDMN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)c1nnc[nH]1 ZINC000467763748 881582096 /nfs/dbraw/zinc/58/20/96/881582096.db2.gz VUEIYWLZQCOJQG-JTQLQIEISA-N 0 1 403.851 4.009 20 5 HIBDMN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000440743407 865885041 /nfs/dbraw/zinc/88/50/41/865885041.db2.gz AJLJAKUMSIDPCO-GOSISDBHSA-N 0 1 413.865 4.290 20 5 HIBDMN Cc1c(F)c(C(F)(F)F)ccc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000443634119 868212278 /nfs/dbraw/zinc/21/22/78/868212278.db2.gz YBVHWUDAPJTSKH-UHFFFAOYSA-N 0 1 409.299 4.099 20 5 HIBDMN Cc1cccc2nc(CNC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)[nH]c21 ZINC000444287964 868717991 /nfs/dbraw/zinc/71/79/91/868717991.db2.gz KPRKQGMRAKQIOZ-UHFFFAOYSA-N 0 1 418.403 4.074 20 5 HIBDMN C[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F ZINC000444673663 868950586 /nfs/dbraw/zinc/95/05/86/868950586.db2.gz IPMFKYOVNXTSTN-LBPRGKRZSA-N 0 1 403.389 4.019 20 5 HIBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@@H](c3nccn3C)C2)cc1OC ZINC000444803071 869017464 /nfs/dbraw/zinc/01/74/64/869017464.db2.gz NCVADBZIVTYYBG-DLBZAZTESA-N 0 1 416.522 4.141 20 5 HIBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(Oc2cccc(F)c2F)nc1 ZINC000447262963 871143653 /nfs/dbraw/zinc/14/36/53/871143653.db2.gz GTHAZFTYQPXQDT-UHFFFAOYSA-N 0 1 421.381 4.170 20 5 HIBDMN O=C(c1sc(Br)cc1[N+](=O)[O-])N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000447378054 871285187 /nfs/dbraw/zinc/28/51/87/871285187.db2.gz ZKRRTEHQAUHMFA-LBPRGKRZSA-N 0 1 422.304 4.044 20 5 HIBDMN O=C(Nc1cccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1)c1ccncc1 ZINC000447527454 871394077 /nfs/dbraw/zinc/39/40/77/871394077.db2.gz GAYNGTHMCQZBJJ-JOCHJYFZSA-N 0 1 402.454 4.409 20 5 HIBDMN O=C(NCc1ccco1)c1cccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000447546460 871417802 /nfs/dbraw/zinc/41/78/02/871417802.db2.gz WBIMKJSZBMMZFH-JOCHJYFZSA-N 0 1 405.454 4.285 20 5 HIBDMN Cc1c([C@@H](C)NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000447556623 871444193 /nfs/dbraw/zinc/44/41/93/871444193.db2.gz IOAUVMSKIUMEQJ-GFCCVEGCSA-N 0 1 416.421 4.176 20 5 HIBDMN CN(C)Cc1ccc(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])cc1F ZINC000447674045 871605420 /nfs/dbraw/zinc/60/54/20/871605420.db2.gz YOVRGHGKWXADSP-UHFFFAOYSA-N 0 1 422.329 4.457 20 5 HIBDMN CN(C)[C@H]1CCOc2c(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)cccc21 ZINC000447722898 871665970 /nfs/dbraw/zinc/66/59/70/871665970.db2.gz LWAZJYQLVQLKBX-QFIPXVFZSA-N 0 1 413.477 4.319 20 5 HIBDMN CC(=O)c1cc(F)c(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c(F)c1F ZINC000461099979 874018537 /nfs/dbraw/zinc/01/85/37/874018537.db2.gz HUDOZEUTCZTGFM-UHFFFAOYSA-N 0 1 404.247 4.068 20 5 HIBDMN COc1cccc(-c2ccc(CNC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)cc2)c1 ZINC000461337470 874347540 /nfs/dbraw/zinc/34/75/40/874347540.db2.gz CTOWDGHPHAUOBC-UHFFFAOYSA-N 0 1 402.410 4.077 20 5 HIBDMN Cc1cc(NCc2n[nH]c(COc3ccccc3)n2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461940896 875074720 /nfs/dbraw/zinc/07/47/20/875074720.db2.gz LRWRBQRKLKTQLH-UHFFFAOYSA-N 0 1 407.352 4.231 20 5 HIBDMN CN(C)[C@@H]1CCOc2c(NC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)cccc21 ZINC000468875753 882908683 /nfs/dbraw/zinc/90/86/83/882908683.db2.gz FOQJLQBVNBUGDC-GOSISDBHSA-N 0 1 424.482 4.356 20 5 HIBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC1(c2cccc(F)c2)CC1 ZINC000462338712 875454257 /nfs/dbraw/zinc/45/42/57/875454257.db2.gz HFKLTNXUSCRPPL-UHFFFAOYSA-N 0 1 405.234 4.008 20 5 HIBDMN COc1ccc([C@@H](C)NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1F ZINC000462479437 875587232 /nfs/dbraw/zinc/58/72/32/875587232.db2.gz HCQBWQSMWJTXAZ-MRVPVSSYSA-N 0 1 423.249 4.089 20 5 HIBDMN CCOc1ccccc1[C@H](C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462536667 875655349 /nfs/dbraw/zinc/65/53/49/875655349.db2.gz MEWRSCFDJGIUSL-JTQLQIEISA-N 0 1 419.286 4.340 20 5 HIBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Oc3ccccn3)cc2)c2ncccc12 ZINC000463530479 876605221 /nfs/dbraw/zinc/60/52/21/876605221.db2.gz DEJGVQCCIOXFRS-UHFFFAOYSA-N 0 1 422.422 4.131 20 5 HIBDMN Cc1[nH]nc(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3)c(C(C)C)o2)c1[N+](=O)[O-] ZINC000464077383 877226915 /nfs/dbraw/zinc/22/69/15/877226915.db2.gz QMEFERQVZNTTSX-HNNXBMFYSA-N 0 1 409.446 4.382 20 5 HIBDMN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(N2CCC[NH+]=C2[O-])c1 ZINC000503422387 912416294 /nfs/dbraw/zinc/41/62/94/912416294.db2.gz AYQFQGXOAAGIQN-UHFFFAOYSA-N 0 1 414.487 4.269 20 5 HIBDMN CCOC(=O)c1ccnc(N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)c1[N+](=O)[O-] ZINC000466825397 880596352 /nfs/dbraw/zinc/59/63/52/880596352.db2.gz WKRQCYMAPCHXII-OAHLLOKOSA-N 0 1 415.837 4.038 20 5 HIBDMN CC[C@H](N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000469274379 883373208 /nfs/dbraw/zinc/37/32/08/883373208.db2.gz WELZTDJOTXMEFY-PMACEKPBSA-N 0 1 403.429 4.105 20 5 HIBDMN CC[C@@H](N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000469274401 883373335 /nfs/dbraw/zinc/37/33/35/883373335.db2.gz WELZTDJOTXMEFY-WOJBJXKFSA-N 0 1 403.429 4.105 20 5 HIBDMN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000470134531 884398693 /nfs/dbraw/zinc/39/86/93/884398693.db2.gz SEWHLSRUMISKTI-AWEZNQCLSA-N 0 1 416.457 4.311 20 5 HIBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 ZINC000471145960 885691613 /nfs/dbraw/zinc/69/16/13/885691613.db2.gz SNHBFQBPUOZPNN-UHFFFAOYSA-N 0 1 418.862 4.342 20 5 HIBDMN Cc1csc(Sc2ccc(C(=O)Nc3ccc4[nH]nnc4c3)cc2[N+](=O)[O-])n1 ZINC000471944337 886745475 /nfs/dbraw/zinc/74/54/75/886745475.db2.gz RALQNFKCNLYWDI-UHFFFAOYSA-N 0 1 412.456 4.035 20 5 HIBDMN COc1cccc([C@H]2[C@H](NC(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)CCN2C2CC2)c1 ZINC000471988155 886815062 /nfs/dbraw/zinc/81/50/62/886815062.db2.gz HIGFNPTUFQAJAJ-KNQAVFIVSA-N 0 1 424.501 4.320 20 5 HIBDMN COc1cc(CN[C@H](CO)c2ccsc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000472036463 886855849 /nfs/dbraw/zinc/85/58/49/886855849.db2.gz DYKUEJAWMSGWNZ-LJQANCHMSA-N 0 1 414.483 4.067 20 5 HIBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC=C(c2c(F)cccc2F)CC1 ZINC000473178861 887958265 /nfs/dbraw/zinc/95/82/65/887958265.db2.gz SBXAPPJOOWRRPA-UHFFFAOYSA-N 0 1 401.413 4.299 20 5 HIBDMN COC(=O)C[C@@](C)(NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccncc1 ZINC000475084357 889930958 /nfs/dbraw/zinc/93/09/58/889930958.db2.gz CUNNZYVIDYIMFR-OAQYLSRUSA-N 0 1 411.483 4.286 20 5 HIBDMN COC(=O)C[C@](C)(NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccncc1 ZINC000475084355 889931122 /nfs/dbraw/zinc/93/11/22/889931122.db2.gz CUNNZYVIDYIMFR-NRFANRHFSA-N 0 1 411.483 4.286 20 5 HIBDMN Cn1cc(CN2CCC[C@H](OCc3ccccc3F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000475276208 890172014 /nfs/dbraw/zinc/17/20/14/890172014.db2.gz OLSKEXBYIJABOF-NRFANRHFSA-N 0 1 424.476 4.316 20 5 HIBDMN CCOc1ccc(NC(=O)c2ccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)cc2)cc1 ZINC000475316861 890234587 /nfs/dbraw/zinc/23/45/87/890234587.db2.gz MOPKIPXRQYJTML-UHFFFAOYSA-N 0 1 421.409 4.204 20 5 HIBDMN COc1cc([C@H](C)NC(=O)c2cc(O)cc([N+](=O)[O-])c2)ccc1OC1CCCC1 ZINC000476014223 890944056 /nfs/dbraw/zinc/94/40/56/890944056.db2.gz SWUGBNYTBKRZFR-ZDUSSCGKSA-N 0 1 400.431 4.121 20 5 HIBDMN COc1c(C(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)cccc1[N+](=O)[O-] ZINC000476288891 891205312 /nfs/dbraw/zinc/20/53/12/891205312.db2.gz PTZKNCISPSKMHN-MRXNPFEDSA-N 0 1 400.822 4.110 20 5 HIBDMN CCOc1ccc([C@@H](C)NCc2ccc(C)cc2O[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000504920041 913656329 /nfs/dbraw/zinc/65/63/29/913656329.db2.gz MLNMTAULUSHTIP-VQIMIIECSA-N 0 1 400.475 4.320 20 5 HIBDMN O=C(Nc1ccc(Oc2nncc3ccccc32)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000477484818 892476244 /nfs/dbraw/zinc/47/62/44/892476244.db2.gz AKAGZXNRINZOSG-UHFFFAOYSA-N 0 1 402.366 4.288 20 5 HIBDMN CCOc1ccc(NC(=O)CNC2(c3cccc(C(F)(F)F)c3)CC2)c([N+](=O)[O-])c1 ZINC000477545425 892586531 /nfs/dbraw/zinc/58/65/31/892586531.db2.gz ZKEWWKMZLOQENY-UHFFFAOYSA-N 0 1 423.391 4.230 20 5 HIBDMN CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000477627672 892743663 /nfs/dbraw/zinc/74/36/63/892743663.db2.gz LVBOXGLVIOLYSC-UHFFFAOYSA-N 0 1 416.821 4.055 20 5 HIBDMN C[C@H]1CCCCN1CC(=O)Nc1ccc(F)c(NCc2ccc([N+](=O)[O-])cc2F)c1 ZINC000478300822 893517835 /nfs/dbraw/zinc/51/78/35/893517835.db2.gz UXCXZHQTNACJFN-AWEZNQCLSA-N 0 1 418.444 4.298 20 5 HIBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000478938123 894218585 /nfs/dbraw/zinc/21/85/85/894218585.db2.gz JJVOVXZAMNOJIN-MRXNPFEDSA-N 0 1 405.545 4.335 20 5 HIBDMN CCc1nc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)n[nH]1 ZINC000479215758 894477673 /nfs/dbraw/zinc/47/76/73/894477673.db2.gz MMFQQDYPCKYQSC-UHFFFAOYSA-N 0 1 403.851 4.332 20 5 HIBDMN CCc1n[nH]c(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)n1 ZINC000479215758 894477680 /nfs/dbraw/zinc/47/76/80/894477680.db2.gz MMFQQDYPCKYQSC-UHFFFAOYSA-N 0 1 403.851 4.332 20 5 HIBDMN CCCCn1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C(C)C ZINC000480203958 895605132 /nfs/dbraw/zinc/60/51/32/895605132.db2.gz WTVXYNDTQIYFAA-UHFFFAOYSA-N 0 1 400.888 4.169 20 5 HIBDMN CCCCn1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c1C(C)C ZINC000480233451 895641217 /nfs/dbraw/zinc/64/12/17/895641217.db2.gz VMLSTVUVCVPUMU-UHFFFAOYSA-N 0 1 417.491 4.064 20 5 HIBDMN O=[N+]([O-])c1cccc(CN(Cc2nc3ccc(Br)cc3[nH]2)C2CC2)c1 ZINC000480578518 895939121 /nfs/dbraw/zinc/93/91/21/895939121.db2.gz NSBZUKBHZCNZAA-UHFFFAOYSA-N 0 1 401.264 4.398 20 5 HIBDMN C[C@H](NCc1cccc(N2CCOCC2)n1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000480769493 896131682 /nfs/dbraw/zinc/13/16/82/896131682.db2.gz PKZDOCWAXHURBS-INIZCTEOSA-N 0 1 424.526 4.406 20 5 HIBDMN CO[C@H](c1ccccc1Cl)[C@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000481361815 896741766 /nfs/dbraw/zinc/74/17/66/896741766.db2.gz SISVJDLQCBGKEQ-VOJFVSQTSA-N 0 1 412.273 4.206 20 5 HIBDMN O=C(CN[C@@H](c1cc(F)cc(Br)c1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000481720403 897114154 /nfs/dbraw/zinc/11/41/54/897114154.db2.gz FXBOOXHOSCVLBP-GOSISDBHSA-N 0 1 422.254 4.176 20 5 HIBDMN Cc1nc(-c2cccc(NS(=O)(=O)c3c(C)cc([N+](=O)[O-])cc3C)c2)oc1C ZINC000481956615 897345961 /nfs/dbraw/zinc/34/59/61/897345961.db2.gz ITEPJIIHDHYRMV-UHFFFAOYSA-N 0 1 401.444 4.284 20 5 HIBDMN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000505496371 914181950 /nfs/dbraw/zinc/18/19/50/914181950.db2.gz RTENQLBYVRCSPZ-GOSISDBHSA-N 0 1 405.495 4.269 20 5 HIBDMN C[C@H]1CCCCN1CC(=O)Nc1ccc(F)c(NCc2csc([N+](=O)[O-])c2)c1 ZINC000482661628 898265589 /nfs/dbraw/zinc/26/55/89/898265589.db2.gz IXWDANRZSATRRZ-ZDUSSCGKSA-N 0 1 406.483 4.220 20 5 HIBDMN Cc1c([C@@H](C)NCc2cccc(NC(=O)NCc3ccncc3)c2)cccc1[N+](=O)[O-] ZINC000482947498 898573176 /nfs/dbraw/zinc/57/31/76/898573176.db2.gz KLWQNIAUYKUVQR-QGZVFWFLSA-N 0 1 419.485 4.471 20 5 HIBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1 ZINC000483440815 899075322 /nfs/dbraw/zinc/07/53/22/899075322.db2.gz QRFHBECHIBSZMD-UHFFFAOYSA-N 0 1 404.401 4.382 20 5 HIBDMN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2cccc3ccc(O)cc32)c1 ZINC000484545666 900026548 /nfs/dbraw/zinc/02/65/48/900026548.db2.gz WBAZLEDPWGYCSN-UHFFFAOYSA-N 0 1 423.244 4.017 20 5 HIBDMN Cc1sc(C(=O)Nc2cccc(NC(=O)CN3CCCCCC3)c2)cc1[N+](=O)[O-] ZINC000505738747 914416411 /nfs/dbraw/zinc/41/64/11/914416411.db2.gz XTDQDXIDCLODAX-UHFFFAOYSA-N 0 1 416.503 4.032 20 5 HIBDMN O=C(Nc1nc(-c2cc3ccccc3o2)n[nH]1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000485093471 900404449 /nfs/dbraw/zinc/40/44/49/900404449.db2.gz JYKUHWOYPOAOTF-UHFFFAOYSA-N 0 1 417.303 4.397 20 5 HIBDMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1sc(Br)cc1[N+](=O)[O-] ZINC000486431521 901591643 /nfs/dbraw/zinc/59/16/43/901591643.db2.gz QWCHWNIJLMWFJK-UHFFFAOYSA-N 0 1 417.191 4.485 20 5 HIBDMN CN(C)Cc1ccnc(NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000488142720 902637524 /nfs/dbraw/zinc/63/75/24/902637524.db2.gz CSZMIMWTHIYNCA-UHFFFAOYSA-N 0 1 408.483 4.455 20 5 HIBDMN CC[C@@H](NC(=O)NC[C@H](c1ccc(C)o1)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000489143205 903228711 /nfs/dbraw/zinc/22/87/11/903228711.db2.gz UNJKXMOYYHYHEU-RTBURBONSA-N 0 1 400.479 4.084 20 5 HIBDMN COc1cc(CN2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)ccc1[N+](=O)[O-] ZINC000489967691 903702705 /nfs/dbraw/zinc/70/27/05/903702705.db2.gz VAIHXMWARJUTFW-UHFFFAOYSA-N 0 1 421.856 4.247 20 5 HIBDMN CCn1c2ccccc2nc1[C@@H]1CCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000490188000 903816077 /nfs/dbraw/zinc/81/60/77/903816077.db2.gz PFEFJIASJHFADY-NRFANRHFSA-N 0 1 421.501 4.439 20 5 HIBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(OCc2ccccc2)cc1 ZINC000490371310 903964250 /nfs/dbraw/zinc/96/42/50/903964250.db2.gz RNCMIFVROVLKTO-UHFFFAOYSA-N 0 1 415.409 4.211 20 5 HIBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000490372826 903965711 /nfs/dbraw/zinc/96/57/11/903965711.db2.gz WWHLNJWMRLRYQS-CABCVRRESA-N 0 1 417.347 4.141 20 5 HIBDMN Cn1cc(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506099426 914803109 /nfs/dbraw/zinc/80/31/09/914803109.db2.gz QIAXEKQQHDEGLH-FQEVSTJZSA-N 0 1 420.469 4.104 20 5 HIBDMN Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(Cl)c1Br ZINC000491762903 904695085 /nfs/dbraw/zinc/69/50/85/904695085.db2.gz PSSHUQZNAVWRPI-UHFFFAOYSA-N 0 1 419.684 4.428 20 5 HIBDMN CCCC(=O)NC[C@@H]1CCCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000512408117 921140717 /nfs/dbraw/zinc/14/07/17/921140717.db2.gz ASWPSZQLYBTBDG-FQEVSTJZSA-N 0 1 424.545 4.491 20 5 HIBDMN C[C@H]1CCN(C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000495039081 906194513 /nfs/dbraw/zinc/19/45/13/906194513.db2.gz HNKIWDZRORHGJV-HNNXBMFYSA-N 0 1 416.909 4.027 20 5 HIBDMN Cc1c([C@@H](C)NCCc2ccc(Cl)cc2[N+](=O)[O-])nnn1-c1ccc(F)cc1 ZINC000495433474 906448140 /nfs/dbraw/zinc/44/81/40/906448140.db2.gz ODQBMRNCUDLCGZ-GFCCVEGCSA-N 0 1 403.845 4.170 20 5 HIBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000496519633 906700838 /nfs/dbraw/zinc/70/08/38/906700838.db2.gz KZAXOCRCMODKOE-UHFFFAOYSA-N 0 1 421.419 4.270 20 5 HIBDMN CSc1ccc([C@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000500239875 909729084 /nfs/dbraw/zinc/72/90/84/909729084.db2.gz XKPUZTNCHOTVSW-NSHDSACASA-N 0 1 424.320 4.369 20 5 HIBDMN C[C@H](c1ccccc1Br)N(C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501040456 910254418 /nfs/dbraw/zinc/25/44/18/910254418.db2.gz ZYKADJOVJHMFPT-CYBMUJFWSA-N 0 1 406.280 4.379 20 5 HIBDMN Cn1cc(CN2CCC[C@H]2c2cccc3c2OCCO3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000513123081 921566983 /nfs/dbraw/zinc/56/69/83/921566983.db2.gz RMGONDXDPIKGSF-FQEVSTJZSA-N 0 1 420.469 4.104 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000513174853 921600549 /nfs/dbraw/zinc/60/05/49/921600549.db2.gz ZZSKBWVMNQVIFA-LJQANCHMSA-N 0 1 410.392 4.114 20 5 HIBDMN CCCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502918547 911904286 /nfs/dbraw/zinc/90/42/86/911904286.db2.gz JNOSOEWVTMSOIZ-MRXNPFEDSA-N 0 1 423.473 4.274 20 5 HIBDMN CCCN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502929264 911915249 /nfs/dbraw/zinc/91/52/49/911915249.db2.gz AZOGRLQEYLMWHN-INIZCTEOSA-N 0 1 423.473 4.274 20 5 HIBDMN Cc1ccc([C@H](C)NC(=O)c2cc(Br)cc3nc[nH]c32)cc1[N+](=O)[O-] ZINC000503001924 911975563 /nfs/dbraw/zinc/97/55/63/911975563.db2.gz XBGBSCNORWPUCI-JTQLQIEISA-N 0 1 403.236 4.033 20 5 HIBDMN O=C(NC1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1)c1ccccc1 ZINC000506294982 914890293 /nfs/dbraw/zinc/89/02/93/914890293.db2.gz MQCHRWMAGVLSIR-UHFFFAOYSA-N 0 1 405.454 4.249 20 5 HIBDMN O=C(Nc1ccc2[nH]c(C(F)(F)C(F)(F)F)nc2c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507391636 916154911 /nfs/dbraw/zinc/15/49/11/916154911.db2.gz HKIYURJTFOGNRH-UHFFFAOYSA-N 0 1 416.262 4.083 20 5 HIBDMN COCCSc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000507462627 916230792 /nfs/dbraw/zinc/23/07/92/916230792.db2.gz FIVSGJNDEBXGOG-CABCVRRESA-N 0 1 403.504 4.011 20 5 HIBDMN CN(c1ccccc1)c1ccc(CNCC(=O)Nc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000507902921 916769584 /nfs/dbraw/zinc/76/95/84/916769584.db2.gz LHJQSGJLYCIOJS-UHFFFAOYSA-N 0 1 408.433 4.230 20 5 HIBDMN CNC(=O)c1cccc(CNCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)c1 ZINC000507931113 916805210 /nfs/dbraw/zinc/80/52/10/916805210.db2.gz QHZWZJQDRXMTRC-UHFFFAOYSA-N 0 1 404.470 4.012 20 5 HIBDMN Cc1ccc([C@H](C)NC(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000508322192 917127891 /nfs/dbraw/zinc/12/78/91/917127891.db2.gz NAFFJOMZBZGOOJ-YJBOKZPZSA-N 0 1 420.473 4.296 20 5 HIBDMN Cc1ccc([C@H](C)NC(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)cc1[N+](=O)[O-] ZINC000508322192 917127901 /nfs/dbraw/zinc/12/79/01/917127901.db2.gz NAFFJOMZBZGOOJ-YJBOKZPZSA-N 0 1 420.473 4.296 20 5 HIBDMN CC(C)(C)c1csc(C2CCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)CC2)n1 ZINC000509675398 918306754 /nfs/dbraw/zinc/30/67/54/918306754.db2.gz LDQLAZCSGVJVKW-UHFFFAOYSA-N 0 1 413.503 4.245 20 5 HIBDMN C[C@@H](Nc1ccc(C(=O)Nc2ccc3nc[nH]c3c2)cc1[N+](=O)[O-])c1ccccn1 ZINC000511332692 919923015 /nfs/dbraw/zinc/92/30/15/919923015.db2.gz IQYFTFHXBDXDKU-CYBMUJFWSA-N 0 1 402.414 4.292 20 5 HIBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000511550761 920182443 /nfs/dbraw/zinc/18/24/43/920182443.db2.gz AZSBAFLJVWHEFK-IBGZPJMESA-N 0 1 423.391 4.481 20 5 HIBDMN O=C(N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])s1 ZINC000511740582 920416570 /nfs/dbraw/zinc/41/65/70/920416570.db2.gz GAYCKVSZMFSHHQ-RBUKOAKNSA-N 0 1 407.495 4.054 20 5 HIBDMN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cccc(-c4nnc[nH]4)c3)cc2[N+](=O)[O-])C1 ZINC000512000716 920769564 /nfs/dbraw/zinc/76/95/64/920769564.db2.gz HHPTUENPXJMRNA-HUUCEWRRSA-N 0 1 420.473 4.115 20 5 HIBDMN CCC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512278182 921032547 /nfs/dbraw/zinc/03/25/47/921032547.db2.gz CSHGKRDIWGSLPA-UHFFFAOYSA-N 0 1 401.486 4.022 20 5 HIBDMN CCCN(Cc1c(F)cccc1[N+](=O)[O-])C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000512278182 921032554 /nfs/dbraw/zinc/03/25/54/921032554.db2.gz CSHGKRDIWGSLPA-UHFFFAOYSA-N 0 1 401.486 4.022 20 5 HIBDMN C[C@H]1CN(Cc2ccc(CNc3ccc4cc([N+](=O)[O-])ccc4n3)cc2)C[C@H](C)O1 ZINC000515546474 923168289 /nfs/dbraw/zinc/16/82/89/923168289.db2.gz WQKRYYVNRVBREJ-IRXDYDNUSA-N 0 1 406.486 4.364 20 5 HIBDMN COc1cc(C(=O)Nc2[nH]nc(-c3ccc(C)o3)c2C)c([N+](=O)[O-])cc1OC(F)F ZINC000518475144 927297341 /nfs/dbraw/zinc/29/73/41/927297341.db2.gz GFJOCBNBJZTPET-UHFFFAOYSA-N 0 1 422.344 4.057 20 5 HIBDMN CCc1c(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)[nH]nc1-c1ccncc1 ZINC000520631812 928686688 /nfs/dbraw/zinc/68/66/88/928686688.db2.gz CDGIXRCCCUKDFS-UHFFFAOYSA-N 0 1 423.476 4.141 20 5 HIBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(-c3nc(-c4ccccc4)no3)cc2)c1 ZINC000521021915 928940340 /nfs/dbraw/zinc/94/03/40/928940340.db2.gz VGWPKQGMYBWYTI-UHFFFAOYSA-N 0 1 422.422 4.113 20 5 HIBDMN CCc1[nH]nc(C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)c1[N+](=O)[O-] ZINC000521449531 929225699 /nfs/dbraw/zinc/22/56/99/929225699.db2.gz JHUOCUMAZTVKFE-UHFFFAOYSA-N 0 1 419.894 4.163 20 5 HIBDMN C[C@H](C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000562395382 945069553 /nfs/dbraw/zinc/06/95/53/945069553.db2.gz YVNCEBBDPGZQAD-YWZLYKJASA-N 0 1 401.894 4.305 20 5 HIBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CSc1nc(O)cc(=O)n1C1CCCC1 ZINC000522010562 929618317 /nfs/dbraw/zinc/61/83/17/929618317.db2.gz KLMLDFOJKVWWKP-UHFFFAOYSA-N 0 1 405.476 4.052 20 5 HIBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC000522020679 929620320 /nfs/dbraw/zinc/62/03/20/929620320.db2.gz YLZSWDLQNNGSEH-UHFFFAOYSA-N 0 1 408.439 4.247 20 5 HIBDMN Cc1[nH]nc(C(=O)N(C)Cc2cc(C)c(OCc3ccccc3C)c(C)c2)c1[N+](=O)[O-] ZINC000524540627 929672731 /nfs/dbraw/zinc/67/27/31/929672731.db2.gz VSZDRKZCOLCGQZ-UHFFFAOYSA-N 0 1 422.485 4.403 20 5 HIBDMN COc1cc(CN2CC[C@@H](COCc3ccccc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000525271934 930122843 /nfs/dbraw/zinc/12/28/43/930122843.db2.gz VPQIXCVZLCZLPU-MRXNPFEDSA-N 0 1 422.428 4.244 20 5 HIBDMN COc1ccc(CNCc2c(C)nn(Cc3ccc(Cl)cc3)c2C)cc1[N+](=O)[O-] ZINC000525405321 930222411 /nfs/dbraw/zinc/22/24/11/930222411.db2.gz CKBBVSKBXDSVQM-UHFFFAOYSA-N 0 1 414.893 4.408 20 5 HIBDMN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)N[C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000525760798 930434290 /nfs/dbraw/zinc/43/42/90/930434290.db2.gz LMKAHFKBRHCUGF-CVEARBPZSA-N 0 1 405.520 4.037 20 5 HIBDMN O=C(Nc1ccc2nc(C3CCCCC3)[nH]c2c1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000530792321 930824436 /nfs/dbraw/zinc/82/44/36/930824436.db2.gz BYJBNQKFIZVLPG-UHFFFAOYSA-N 0 1 408.414 4.500 20 5 HIBDMN COc1cc(CN(CCCO)[C@@H]2CCc3ccccc32)c([N+](=O)[O-])cc1OC(F)F ZINC000530926962 930860554 /nfs/dbraw/zinc/86/05/54/930860554.db2.gz SMIMXTKOQGDBIR-QGZVFWFLSA-N 0 1 422.428 4.077 20 5 HIBDMN Cc1ccc([C@@H](C)NC(=O)NC[C@H](c2ccc(Cl)cc2)N(C)C)cc1[N+](=O)[O-] ZINC000530994148 930879339 /nfs/dbraw/zinc/87/93/39/930879339.db2.gz VPFNTIKZCOZGDK-AUUYWEPGSA-N 0 1 404.898 4.220 20 5 HIBDMN Cc1ccc([C@H](C)N[C@H](C)C(=O)Nc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000531443259 931058266 /nfs/dbraw/zinc/05/82/66/931058266.db2.gz DCKIZDWUKRXIQE-QWHCGFSZSA-N 0 1 406.280 4.344 20 5 HIBDMN CCC[C@H](NCc1ccccc1CS(=O)(=O)NC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000531703357 931164906 /nfs/dbraw/zinc/16/49/06/931164906.db2.gz ZTAFNUYPVUBBTJ-NRFANRHFSA-N 0 1 419.547 4.054 20 5 HIBDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)C(C)(C)c4ccc([N+](=O)[O-])cc4)C3)[nH]c2c1 ZINC000531769322 931189504 /nfs/dbraw/zinc/18/95/04/931189504.db2.gz PNMGBMJLJHCVEB-MRXNPFEDSA-N 0 1 406.486 4.463 20 5 HIBDMN CCN(CC)S(=O)(=O)c1ccc([C@H](C)N[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000531931432 931250997 /nfs/dbraw/zinc/25/09/97/931250997.db2.gz BWNAFBXDAYYFTC-CVEARBPZSA-N 0 1 405.520 4.037 20 5 HIBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000532805838 931634666 /nfs/dbraw/zinc/63/46/66/931634666.db2.gz XQWBBHAWJARXAO-CYBMUJFWSA-N 0 1 414.849 4.056 20 5 HIBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(Cc1cccc(F)c1)C1CCCC1 ZINC000533027302 931744162 /nfs/dbraw/zinc/74/41/62/931744162.db2.gz HAMQTNZDXWPOMF-UHFFFAOYSA-N 0 1 401.438 4.126 20 5 HIBDMN CN(c1ccccc1)c1ccc(CNCc2cn(C)nc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000533496407 931884451 /nfs/dbraw/zinc/88/44/51/931884451.db2.gz JOJNZZLOKLMTNS-UHFFFAOYSA-N 0 1 419.407 4.405 20 5 HIBDMN COc1ccc(-c2n[nH]c(CNc3ccc([N+](=O)[O-])c(-c4ccccc4)n3)n2)cc1 ZINC000534144126 932301111 /nfs/dbraw/zinc/30/11/11/932301111.db2.gz JHPUONXZZIZYDP-UHFFFAOYSA-N 0 1 402.414 4.063 20 5 HIBDMN COc1ccc(-c2nc(CNc3ccc([N+](=O)[O-])c(-c4ccccc4)n3)n[nH]2)cc1 ZINC000534144126 932301118 /nfs/dbraw/zinc/30/11/18/932301118.db2.gz JHPUONXZZIZYDP-UHFFFAOYSA-N 0 1 402.414 4.063 20 5 HIBDMN CN1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534242206 932361186 /nfs/dbraw/zinc/36/11/86/932361186.db2.gz IILAWEZDOIDQRY-ACJLOTCBSA-N 0 1 406.845 4.202 20 5 HIBDMN Cc1c(CC(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000534962367 932862409 /nfs/dbraw/zinc/86/24/09/932862409.db2.gz CTYJOCOAZCGKKT-HRAATJIYSA-N 0 1 419.884 4.047 20 5 HIBDMN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000535433068 933132503 /nfs/dbraw/zinc/13/25/03/933132503.db2.gz WVIYQQXGZRMMJA-UHFFFAOYSA-N 0 1 403.320 4.152 20 5 HIBDMN CCOc1ccc([C@@H](C)N[C@@H]2CCN(c3ccccc3Cl)C2=O)cc1[N+](=O)[O-] ZINC000537968266 938438602 /nfs/dbraw/zinc/43/86/02/938438602.db2.gz YKZIZBFDCXFSHD-CZUORRHYSA-N 0 1 403.866 4.103 20 5 HIBDMN CCOc1ccc([C@H](C)N[C@@H]2CCN(c3ccccc3Cl)C2=O)cc1[N+](=O)[O-] ZINC000537968267 938438959 /nfs/dbraw/zinc/43/89/59/938438959.db2.gz YKZIZBFDCXFSHD-XJKSGUPXSA-N 0 1 403.866 4.103 20 5 HIBDMN COc1cc(CN[C@@H](C[C@H]2CCOC2)c2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000538234501 938567957 /nfs/dbraw/zinc/56/79/57/938567957.db2.gz RCNQRKVKBBEBTF-PBHICJAKSA-N 0 1 422.428 4.462 20 5 HIBDMN COc1ccccc1-c1ccc([C@@H](C)NCc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000538258234 938576554 /nfs/dbraw/zinc/57/65/54/938576554.db2.gz WTVQLUIQIYOREW-OAHLLOKOSA-N 0 1 405.454 4.220 20 5 HIBDMN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H](O)COc3ccccc3)o2)c(Cl)c1 ZINC000538311810 938590127 /nfs/dbraw/zinc/59/01/27/938590127.db2.gz OOHHMWKKVHHXDN-HNNXBMFYSA-N 0 1 402.834 4.038 20 5 HIBDMN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000538651380 938673131 /nfs/dbraw/zinc/67/31/31/938673131.db2.gz FWRAYPWRVKCIAS-AWEZNQCLSA-N 0 1 411.849 4.053 20 5 HIBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000539047922 938782696 /nfs/dbraw/zinc/78/26/96/938782696.db2.gz ZKVCBANACZJIOF-LBPRGKRZSA-N 0 1 416.279 4.302 20 5 HIBDMN CC[C@@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccccc1OC(F)F ZINC000539256052 938827709 /nfs/dbraw/zinc/82/77/09/938827709.db2.gz VDLOCEGEORQFDK-SJORKVTESA-N 0 1 405.401 4.042 20 5 HIBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000539264910 938829892 /nfs/dbraw/zinc/82/98/92/938829892.db2.gz MJQMYSWODQKAHH-CYBMUJFWSA-N 0 1 411.380 4.134 20 5 HIBDMN COc1ccc(NC(=O)CN[C@H](c2ccccc2F)C2CCCC2)c([N+](=O)[O-])c1 ZINC000539324601 938841362 /nfs/dbraw/zinc/84/13/62/938841362.db2.gz ANUNYLRAPNAPJI-NRFANRHFSA-N 0 1 401.438 4.202 20 5 HIBDMN CC[C@H](c1nnc(NCc2cc(OC)c(O)c([N+](=O)[O-])c2)s1)c1ccccc1 ZINC000539693740 938904072 /nfs/dbraw/zinc/90/40/72/938904072.db2.gz MJUDGKJNPRLGHT-AWEZNQCLSA-N 0 1 400.460 4.315 20 5 HIBDMN Cc1cc(C2CCN(C(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000539749076 938919851 /nfs/dbraw/zinc/91/98/51/938919851.db2.gz MHRSLTLQMDONTI-UHFFFAOYSA-N 0 1 405.458 4.390 20 5 HIBDMN COCCSc1ccc([C@@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000540405055 939236597 /nfs/dbraw/zinc/23/65/97/939236597.db2.gz UIGVYPFWSNYZGD-CYBMUJFWSA-N 0 1 423.922 4.276 20 5 HIBDMN COc1ccc2cc(CN(C)C(=O)CN[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)ccc2c1 ZINC000540479351 939268873 /nfs/dbraw/zinc/26/88/73/939268873.db2.gz BYHCEAUIWMGTPB-KRWDZBQOSA-N 0 1 421.497 4.374 20 5 HIBDMN Cc1ccc(CN[C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)cc1[N+](=O)[O-] ZINC000540734766 939353288 /nfs/dbraw/zinc/35/32/88/939353288.db2.gz UUNWEFFJLDQTLN-SFHVURJKSA-N 0 1 421.419 4.203 20 5 HIBDMN Cc1cc(N2CCC(C(=O)Nc3cccc(F)c3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000541172931 939484240 /nfs/dbraw/zinc/48/42/40/939484240.db2.gz KIRGXPLURNEBLA-UHFFFAOYSA-N 0 1 408.433 4.446 20 5 HIBDMN C[C@@H](C(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000541708636 939611106 /nfs/dbraw/zinc/61/11/06/939611106.db2.gz DCKASRVSZYKBKS-ZBFHGGJFSA-N 0 1 423.448 4.029 20 5 HIBDMN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC3(CCOCC3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000541718733 939613890 /nfs/dbraw/zinc/61/38/90/939613890.db2.gz NZMNEFDFJAUPLD-PGRDOPGGSA-N 0 1 423.513 4.474 20 5 HIBDMN O=C(Nc1nc(-c2ccccn2)n[nH]1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000541775731 939627520 /nfs/dbraw/zinc/62/75/20/939627520.db2.gz GCABVNXUWAMKOO-UHFFFAOYSA-N 0 1 424.486 4.310 20 5 HIBDMN Cc1cc(N2CCN(C(=O)CCCc3ccccc3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000542101553 939713451 /nfs/dbraw/zinc/71/34/51/939713451.db2.gz AFNGRPKZCKISTE-UHFFFAOYSA-N 0 1 418.497 4.123 20 5 HIBDMN C[C@H](C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000542570519 939844959 /nfs/dbraw/zinc/84/49/59/939844959.db2.gz ZNVRBCRPPQAOLT-AWEZNQCLSA-N 0 1 419.884 4.272 20 5 HIBDMN CCCc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cnn1-c1ccccc1 ZINC000543023281 939897230 /nfs/dbraw/zinc/89/72/30/939897230.db2.gz RRFIDGYZDZMAIN-UHFFFAOYSA-N 0 1 420.878 4.187 20 5 HIBDMN CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000543049236 939909540 /nfs/dbraw/zinc/90/95/40/939909540.db2.gz TXVBNFDUVKULGY-AWEZNQCLSA-N 0 1 424.423 4.079 20 5 HIBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000563834236 945308238 /nfs/dbraw/zinc/30/82/38/945308238.db2.gz FWQGRAWOFFHREH-KNQAVFIVSA-N 0 1 412.873 4.367 20 5 HIBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(CCCn2ccnc2)CC1 ZINC000543991178 940286091 /nfs/dbraw/zinc/28/60/91/940286091.db2.gz MDDVARQGHPMBLU-MRXNPFEDSA-N 0 1 410.478 4.095 20 5 HIBDMN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2nc(C3CCC3)n[nH]2)cc1 ZINC000546149972 940713899 /nfs/dbraw/zinc/71/38/99/940713899.db2.gz BSNZHQWBQYFCBP-UHFFFAOYSA-N 0 1 409.402 4.034 20 5 HIBDMN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2n[nH]c(C3CCC3)n2)cc1 ZINC000546149972 940713902 /nfs/dbraw/zinc/71/39/02/940713902.db2.gz BSNZHQWBQYFCBP-UHFFFAOYSA-N 0 1 409.402 4.034 20 5 HIBDMN CC(C)(NCc1cc(Br)c2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000546578117 940856826 /nfs/dbraw/zinc/85/68/26/940856826.db2.gz GFFIXBJEDRIBJX-UHFFFAOYSA-N 0 1 407.264 4.153 20 5 HIBDMN Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)n1 ZINC000547106005 940998704 /nfs/dbraw/zinc/99/87/04/940998704.db2.gz OENFEAXDEDMHBN-HOTGVXAUSA-N 0 1 408.458 4.229 20 5 HIBDMN CN(C)Cc1cc(-c2noc(-c3ccc(OC(F)F)c([N+](=O)[O-])c3)n2)ccc1F ZINC000547160675 941016053 /nfs/dbraw/zinc/01/60/53/941016053.db2.gz NYLKAHHNVDQAOX-UHFFFAOYSA-N 0 1 408.336 4.114 20 5 HIBDMN CC[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCc2ccccc2C1 ZINC000549723272 941205692 /nfs/dbraw/zinc/20/56/92/941205692.db2.gz VCWZUHXHQXXZJF-MRXNPFEDSA-N 0 1 421.419 4.180 20 5 HIBDMN Cc1c([C@@H](C)NCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)cccc1[N+](=O)[O-] ZINC000551777352 941543772 /nfs/dbraw/zinc/54/37/72/941543772.db2.gz JFBUWAKILIRDAW-GFCCVEGCSA-N 0 1 416.421 4.176 20 5 HIBDMN Cc1c([C@H](C)NCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)cccc1[N+](=O)[O-] ZINC000551777416 941543788 /nfs/dbraw/zinc/54/37/88/941543788.db2.gz JFBUWAKILIRDAW-LBPRGKRZSA-N 0 1 416.421 4.176 20 5 HIBDMN Cc1ccc([C@H](CN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000552044448 941572710 /nfs/dbraw/zinc/57/27/10/941572710.db2.gz CCAVTTRSIFQHJA-XZOQPEGZSA-N 0 1 419.529 4.153 20 5 HIBDMN Cc1ccc([C@@H](CN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000552044445 941572841 /nfs/dbraw/zinc/57/28/41/941572841.db2.gz CCAVTTRSIFQHJA-DHIUTWEWSA-N 0 1 419.529 4.153 20 5 HIBDMN CN(CCN1CCCC1=O)Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000552242507 941611631 /nfs/dbraw/zinc/61/16/31/941611631.db2.gz RASMDJQCSHUKGG-UHFFFAOYSA-N 0 1 403.866 4.095 20 5 HIBDMN O=[N+]([O-])c1ccc(-c2nnc(CN[C@H]3CCC[C@H]3Oc3cc(F)cc(F)c3)o2)cc1 ZINC000552258550 941615772 /nfs/dbraw/zinc/61/57/72/941615772.db2.gz OJIZYGSSJWPBOJ-ZWKOTPCHSA-N 0 1 416.384 4.013 20 5 HIBDMN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1ccncc1OCc1ccccc1 ZINC000552319839 941630625 /nfs/dbraw/zinc/63/06/25/941630625.db2.gz QMJQYGZDXFQFBQ-QGZVFWFLSA-N 0 1 420.469 4.076 20 5 HIBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCC[C@H]1c1nc2ccccc2n1C ZINC000554104543 942036986 /nfs/dbraw/zinc/03/69/86/942036986.db2.gz IGWCOQHMXFEVEP-NRFANRHFSA-N 0 1 421.501 4.346 20 5 HIBDMN CC[C@@H](C)N[C@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccco1 ZINC000554633962 942181005 /nfs/dbraw/zinc/18/10/05/942181005.db2.gz IFOWTKFANQKZEU-QVKFZJNVSA-N 0 1 403.482 4.134 20 5 HIBDMN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@H](OC(F)F)C2)cc1 ZINC000555368109 942498331 /nfs/dbraw/zinc/49/83/31/942498331.db2.gz SAIWUQPYVQOJLO-IBGZPJMESA-N 0 1 414.412 4.261 20 5 HIBDMN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CC[C@H](OC(F)F)C2)cc1 ZINC000555368109 942498334 /nfs/dbraw/zinc/49/83/34/942498334.db2.gz SAIWUQPYVQOJLO-IBGZPJMESA-N 0 1 414.412 4.261 20 5 HIBDMN CC(C)c1ccc(C[NH2+][C@H](C(=O)[O-])c2ccccc2Br)cc1[N+](=O)[O-] ZINC000555614429 942671160 /nfs/dbraw/zinc/67/11/60/942671160.db2.gz CPKCFIXEHNZYLK-KRWDZBQOSA-N 0 1 407.264 4.396 20 5 HIBDMN O=[N+]([O-])c1cccc([C@H](NCc2cccc(N3CCOCC3)c2)c2ccccc2)c1 ZINC000556218117 942820123 /nfs/dbraw/zinc/82/01/23/942820123.db2.gz QVIBEMKXZMTVCP-XMMPIXPASA-N 0 1 403.482 4.311 20 5 HIBDMN COc1cc(CNc2ccc(C(=O)N3CCc4ccccc43)cc2)cc([N+](=O)[O-])c1O ZINC000560275259 944216126 /nfs/dbraw/zinc/21/61/26/944216126.db2.gz RGLDPTZIHKFYRC-UHFFFAOYSA-N 0 1 419.437 4.124 20 5 HIBDMN C[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cc(F)c(Cl)cc1Cl ZINC000560392695 944229165 /nfs/dbraw/zinc/22/91/65/944229165.db2.gz MBYRUXZTFRBTTH-CMPLNLGQSA-N 0 1 403.237 4.131 20 5 HIBDMN O=C(NCc1cnc(-c2ccc(Cl)cc2)s1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000560819040 944344248 /nfs/dbraw/zinc/34/42/48/944344248.db2.gz ROJBBGVTOHQGBT-UHFFFAOYSA-N 0 1 413.846 4.178 20 5 HIBDMN C[C@H](NCc1ccc(Br)cc1N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000560921108 944370187 /nfs/dbraw/zinc/37/01/87/944370187.db2.gz WUUBSQVKXYGRRL-AWEZNQCLSA-N 0 1 420.307 4.045 20 5 HIBDMN O=[N+]([O-])c1ccc(Oc2ccc(CNC[C@H](O)C(F)(F)F)cc2F)c(Cl)c1 ZINC000561412937 944587309 /nfs/dbraw/zinc/58/73/09/944587309.db2.gz UIIRQZUQUOUGQM-HNNXBMFYSA-N 0 1 408.735 4.192 20 5 HIBDMN C[C@H](C(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000561423235 944590408 /nfs/dbraw/zinc/59/04/08/944590408.db2.gz PRUUHVRUNHJDIG-GQWAEJPESA-N 0 1 419.884 4.300 20 5 HIBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000570719223 947333809 /nfs/dbraw/zinc/33/38/09/947333809.db2.gz OGSPOKXIGYDBFB-INIZCTEOSA-N 0 1 422.403 4.143 20 5 HIBDMN O=[N+]([O-])c1cc(CN2CCC(c3c[nH]c4ccc(F)cc43)CC2)c2c(c1)COCO2 ZINC000572629035 947962431 /nfs/dbraw/zinc/96/24/31/947962431.db2.gz BRPJWGUGIQHHNT-UHFFFAOYSA-N 0 1 411.433 4.461 20 5 HIBDMN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1ccncc1OCc1ccccc1 ZINC000573943212 948329494 /nfs/dbraw/zinc/32/94/94/948329494.db2.gz WRCDUQGSVQBIKG-KRWDZBQOSA-N 0 1 420.469 4.076 20 5 HIBDMN CN(CCc1cccc([N+](=O)[O-])c1)CC[S@](=O)c1cc(Cl)ccc1Cl ZINC000573983625 948341203 /nfs/dbraw/zinc/34/12/03/948341203.db2.gz ORMILCOMJOWIJR-VWLOTQADSA-N 0 1 401.315 4.184 20 5 HIBDMN COc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000575840407 948737884 /nfs/dbraw/zinc/73/78/84/948737884.db2.gz RIAADLYGSRZABZ-RYUDHWBXSA-N 0 1 411.380 4.300 20 5 HIBDMN CN(C)CCN(Cc1ccccc1F)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436146265 861444243 /nfs/dbraw/zinc/44/42/43/861444243.db2.gz CCSHSRJPAYSUEL-UHFFFAOYSA-N 0 1 417.484 4.024 20 5 HIBDMN C[C@@H]1CN(Cc2ccc(CNc3cc(C(F)(F)F)ncc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000436312585 861618323 /nfs/dbraw/zinc/61/83/23/861618323.db2.gz NNSMKEDGOLGCLB-OKILXGFUSA-N 0 1 424.423 4.230 20 5 HIBDMN COc1cc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccc(C)cc2)cc([N+](=O)[O-])c1O ZINC000024079919 846785714 /nfs/dbraw/zinc/78/57/14/846785714.db2.gz AOWWKTBYEVUDMY-JOCHJYFZSA-N 0 1 419.437 4.384 20 5 HIBDMN CN(C)[C@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccsc1 ZINC000025329016 846959752 /nfs/dbraw/zinc/95/97/52/846959752.db2.gz BEBQVCWSNGMNQG-OAQYLSRUSA-N 0 1 424.526 4.301 20 5 HIBDMN O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000028807000 847463875 /nfs/dbraw/zinc/46/38/75/847463875.db2.gz OGRFVZMYIOTAOU-UHFFFAOYSA-N 0 1 424.269 4.418 20 5 HIBDMN C[C@H](Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000028806893 847464089 /nfs/dbraw/zinc/46/40/89/847464089.db2.gz NEAYLMNRMLAVTO-JTQLQIEISA-N 0 1 403.851 4.153 20 5 HIBDMN Cc1c(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000029568075 847580904 /nfs/dbraw/zinc/58/09/04/847580904.db2.gz DMIFRTMSOISSKR-QWHCGFSZSA-N 0 1 406.280 4.344 20 5 HIBDMN CCOC(=O)c1cc(C(=O)Nc2ccc3nc(C(C)(C)C)[nH]c3c2)cc([N+](=O)[O-])c1 ZINC000032465536 848032312 /nfs/dbraw/zinc/03/23/12/848032312.db2.gz CJBWYPZSMCTOMQ-UHFFFAOYSA-N 0 1 410.430 4.198 20 5 HIBDMN CCOc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OCC ZINC000042635920 848335883 /nfs/dbraw/zinc/33/58/83/848335883.db2.gz BJYDMGKTEAEHHZ-CVEARBPZSA-N 0 1 415.490 4.378 20 5 HIBDMN CCOc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OCC ZINC000043301760 848406688 /nfs/dbraw/zinc/40/66/88/848406688.db2.gz ZABTUUIMARDGDA-GJZGRUSLSA-N 0 1 401.463 4.070 20 5 HIBDMN COc1ccccc1[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCCC1 ZINC000043343033 848412221 /nfs/dbraw/zinc/41/22/21/848412221.db2.gz DISTXVPXTQXZEL-SFHVURJKSA-N 0 1 418.881 4.215 20 5 HIBDMN Cc1c(NC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cccc1[N+](=O)[O-] ZINC000043347691 848412571 /nfs/dbraw/zinc/41/25/71/848412571.db2.gz IFSIQNBPBQCJJG-UHFFFAOYSA-N 0 1 402.882 4.343 20 5 HIBDMN Cc1sc(C(=O)Nc2ccc(NC(=O)CN3CCCCCC3)cc2)cc1[N+](=O)[O-] ZINC000045941209 848755631 /nfs/dbraw/zinc/75/56/31/848755631.db2.gz CZTJQTCNHUJYPD-UHFFFAOYSA-N 0 1 416.503 4.032 20 5 HIBDMN COc1ccc(CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H](C)C2CC2)cc1 ZINC000052867109 849636330 /nfs/dbraw/zinc/63/63/30/849636330.db2.gz JLMVANCUJMJFKS-OAHLLOKOSA-N 0 1 408.458 4.454 20 5 HIBDMN O=c1nc(-c2ccc([N+](=O)[O-])cc2)[nH]c2cc(-c3ccc4c(c3)OCCO4)sc21 ZINC000053854397 849769877 /nfs/dbraw/zinc/76/98/77/849769877.db2.gz NROJQUWIEICAEK-UHFFFAOYSA-N 0 1 407.407 4.410 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H](C)c1cccc(OC(C)C)c1 ZINC000056157025 850261343 /nfs/dbraw/zinc/26/13/43/850261343.db2.gz OJVOBGQOHNUDLD-LSDHHAIUSA-N 0 1 401.463 4.068 20 5 HIBDMN COc1ccc(CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C2CC2)cc1 ZINC000057601190 850677658 /nfs/dbraw/zinc/67/76/58/850677658.db2.gz OFHBUFKSTUFTOG-CQSZACIVSA-N 0 1 417.893 4.496 20 5 HIBDMN O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000060332486 851066171 /nfs/dbraw/zinc/06/61/71/851066171.db2.gz RTVGVICUYGKIAS-UHFFFAOYSA-N 0 1 402.414 4.177 20 5 HIBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CNC(C)(C)c1ccc(Br)cc1 ZINC000063522059 851707600 /nfs/dbraw/zinc/70/76/00/851707600.db2.gz KVEKBFXMPGBYDC-UHFFFAOYSA-N 0 1 406.280 4.129 20 5 HIBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1cc(Br)ccc1F ZINC000063742409 851753264 /nfs/dbraw/zinc/75/32/64/851753264.db2.gz KCVQBKQQCKCYGB-UHFFFAOYSA-N 0 1 424.270 4.265 20 5 HIBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N(CCc1ccccc1)Cc1ccccc1 ZINC000071885534 852423925 /nfs/dbraw/zinc/42/39/25/852423925.db2.gz RZXVOBAJKBYGAO-UHFFFAOYSA-N 0 1 400.438 4.356 20 5 HIBDMN COc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1Br ZINC000096956043 852563582 /nfs/dbraw/zinc/56/35/82/852563582.db2.gz WNXLLSHCDGMHNL-VXGBXAGGSA-N 0 1 422.279 4.044 20 5 HIBDMN O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000097052936 852578563 /nfs/dbraw/zinc/57/85/63/852578563.db2.gz VYLSTXZGBVPKFE-QFIPXVFZSA-N 0 1 418.478 4.469 20 5 HIBDMN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000109870971 853025982 /nfs/dbraw/zinc/02/59/82/853025982.db2.gz ZDKHTQWSYGROQC-UHFFFAOYSA-N 0 1 414.465 4.187 20 5 HIBDMN Cc1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)sc1Br ZINC000123738139 853369244 /nfs/dbraw/zinc/36/92/44/853369244.db2.gz XAGDGXDPMAPVSJ-UHFFFAOYSA-N 0 1 411.686 4.181 20 5 HIBDMN O=[N+]([O-])c1ccc(CNCc2ccc(Br)c(Br)c2)cc1 ZINC000124528396 853371360 /nfs/dbraw/zinc/37/13/60/853371360.db2.gz VXCJDONUIFESMQ-UHFFFAOYSA-N 0 1 400.070 4.410 20 5 HIBDMN Cc1ccc2nc([C@H]3CCCN3C(=O)CCCNc3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000142314924 853493244 /nfs/dbraw/zinc/49/32/44/853493244.db2.gz YLIMOVZIWIFEHU-HXUWFJFHSA-N 0 1 407.474 4.335 20 5 HIBDMN O=C(CSc1nc(C=Cc2ccccc2)n[nH]1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000207214931 853802260 /nfs/dbraw/zinc/80/22/60/853802260.db2.gz AKPQOWJRFDLLGO-TWGQIWQCSA-N 0 1 415.862 4.268 20 5 HIBDMN CC(C)CC(=O)Nc1cccc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000236653703 853908263 /nfs/dbraw/zinc/90/82/63/853908263.db2.gz KHVSGQOHIVLQOK-UHFFFAOYSA-N 0 1 421.501 4.270 20 5 HIBDMN CCN(CC)[C@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccco1 ZINC000236902185 853934980 /nfs/dbraw/zinc/93/49/80/853934980.db2.gz IEGGKILYQGTXGH-GOSISDBHSA-N 0 1 400.504 4.484 20 5 HIBDMN O=[N+]([O-])c1cc(CN[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)cs1 ZINC000237707621 854079944 /nfs/dbraw/zinc/07/99/44/854079944.db2.gz BZZJDFJZHQFIRK-LLVKDONJSA-N 0 1 406.817 4.092 20 5 HIBDMN O=c1ccccn1Cc1ccc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000237960934 854126821 /nfs/dbraw/zinc/12/68/21/854126821.db2.gz QAWDELMHACIFSH-UHFFFAOYSA-N 0 1 415.449 4.355 20 5 HIBDMN Cc1cc(NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)c2cc([N+](=O)[O-])ccc2n1 ZINC000302128404 854533885 /nfs/dbraw/zinc/53/38/85/854533885.db2.gz BHQVDXAINDSOEH-SFHVURJKSA-N 0 1 415.833 4.022 20 5 HIBDMN Cc1cc(N2CCc3c(ncn3CCc3ccccc3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302134731 854534959 /nfs/dbraw/zinc/53/49/59/854534959.db2.gz HOLCJHDYVAOORX-UHFFFAOYSA-N 0 1 413.481 4.453 20 5 HIBDMN Cc1cc(N2CCC(C(=O)NCc3ccc(F)cc3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302195447 854547752 /nfs/dbraw/zinc/54/77/52/854547752.db2.gz SJKDNDUUAQDEID-UHFFFAOYSA-N 0 1 422.460 4.123 20 5 HIBDMN Cc1cc2c(ncnc2N2CCN(c3cc(C)nc4ccc([N+](=O)[O-])cc43)CC2)s1 ZINC000302498735 854576993 /nfs/dbraw/zinc/57/69/93/854576993.db2.gz CDBMLWCSFPUOQN-UHFFFAOYSA-N 0 1 420.498 4.091 20 5 HIBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000303333532 854877888 /nfs/dbraw/zinc/87/78/88/854877888.db2.gz DDHHAJALKLQVOZ-AWEZNQCLSA-N 0 1 418.457 4.462 20 5 HIBDMN CCCc1[nH]nc(C(=O)N2CCC(CCc3ccc(OCC)cc3)CC2)c1[N+](=O)[O-] ZINC000303403709 854911014 /nfs/dbraw/zinc/91/10/14/854911014.db2.gz PLIBLWAVTPRYHS-UHFFFAOYSA-N 0 1 414.506 4.154 20 5 HIBDMN O=[N+]([O-])c1ccc(-c2noc(CN(Cc3ccccc3)CC3CCOCC3)n2)cc1 ZINC000303432757 854933550 /nfs/dbraw/zinc/93/35/50/854933550.db2.gz CQEBWAIEMIWKEK-UHFFFAOYSA-N 0 1 408.458 4.074 20 5 HIBDMN O=[N+]([O-])c1ccccc1CNCc1cc(Br)cc(Br)c1 ZINC000394540493 855471042 /nfs/dbraw/zinc/47/10/42/855471042.db2.gz VZEUGWJZHWMLED-UHFFFAOYSA-N 0 1 400.070 4.410 20 5 HIBDMN CCCCc1nc2ccc(NC(=O)c3cc(OCC)c(OC)cc3[N+](=O)[O-])cc2[nH]1 ZINC000409718798 855618709 /nfs/dbraw/zinc/61/87/09/855618709.db2.gz HLKRTZWLAZKIJB-UHFFFAOYSA-N 0 1 412.446 4.473 20 5 HIBDMN CCCCOc1ccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1OCC ZINC000425965867 856020864 /nfs/dbraw/zinc/02/08/64/856020864.db2.gz JXJBVGUYTNAXCO-UHFFFAOYSA-N 0 1 402.495 4.206 20 5 HIBDMN O=C(NC[C@@H](c1ccco1)N1CCCCC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426224793 856187818 /nfs/dbraw/zinc/18/78/18/856187818.db2.gz HNTKOMUYOJHFSZ-FQEVSTJZSA-N 0 1 412.490 4.089 20 5 HIBDMN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)ccc2SCC(F)(F)F)n1 ZINC000427365849 856797879 /nfs/dbraw/zinc/79/78/79/856797879.db2.gz JQHKWZQLQNJKTL-UHFFFAOYSA-N 0 1 408.789 4.371 20 5 HIBDMN C[C@@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ncc(Br)cc1F ZINC000427894384 856997344 /nfs/dbraw/zinc/99/73/44/856997344.db2.gz QNGIVDVZLNXIHX-SECBINFHSA-N 0 1 402.651 4.438 20 5 HIBDMN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000437519167 862863732 /nfs/dbraw/zinc/86/37/32/862863732.db2.gz VSYCLZHCBCIWPJ-UHFFFAOYSA-N 0 1 415.409 4.064 20 5 HIBDMN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000437519167 862863734 /nfs/dbraw/zinc/86/37/34/862863734.db2.gz VSYCLZHCBCIWPJ-UHFFFAOYSA-N 0 1 415.409 4.064 20 5 HIBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000437542227 862875872 /nfs/dbraw/zinc/87/58/72/862875872.db2.gz YIVPGYYHCDBVNY-UHFFFAOYSA-N 0 1 400.398 4.003 20 5 HIBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000437542227 862875878 /nfs/dbraw/zinc/87/58/78/862875878.db2.gz YIVPGYYHCDBVNY-UHFFFAOYSA-N 0 1 400.398 4.003 20 5 HIBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000430204122 858081689 /nfs/dbraw/zinc/08/16/89/858081689.db2.gz GRKZCQXMPQFSOH-UHFFFAOYSA-N 0 1 421.856 4.247 20 5 HIBDMN COc1ccccc1-c1noc(C2CCN(Cc3ccc([N+](=O)[O-])cc3C)CC2)n1 ZINC000433023923 859484416 /nfs/dbraw/zinc/48/44/16/859484416.db2.gz UMQNPTDWGJAOLN-UHFFFAOYSA-N 0 1 408.458 4.341 20 5 HIBDMN O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1ccc(-c2ccc(Cl)s2)cn1 ZINC000433122428 859529151 /nfs/dbraw/zinc/52/91/51/859529151.db2.gz QLKUCFHYYQKDBY-UHFFFAOYSA-N 0 1 409.876 4.314 20 5 HIBDMN CC[C@@H]1C[C@H]1N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000435777478 861052907 /nfs/dbraw/zinc/05/29/07/861052907.db2.gz CVHLWQNJWXIHKG-NXOUGTEYSA-N 0 1 418.291 4.425 20 5 HIBDMN Cc1c(CC(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)cccc1[N+](=O)[O-] ZINC000438829160 864324344 /nfs/dbraw/zinc/32/43/44/864324344.db2.gz JPCRJHZKTYPHNP-HSZRJFAPSA-N 0 1 400.438 4.228 20 5 HIBDMN CC[C@H](CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000439137226 864569690 /nfs/dbraw/zinc/56/96/90/864569690.db2.gz RVPNDTYOOVBTPB-GOSISDBHSA-N 0 1 401.894 4.123 20 5 HIBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC([C@@H]3CCCO3)CC2)cc1OC ZINC000439299168 864724999 /nfs/dbraw/zinc/72/49/99/864724999.db2.gz PBAHWDDHCMZBLG-UZLBHIALSA-N 0 1 406.523 4.419 20 5 HIBDMN CC(C)c1ccc(C(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000439752379 865082704 /nfs/dbraw/zinc/08/27/04/865082704.db2.gz UZJXHAGVGUUZEV-GOSISDBHSA-N 0 1 405.458 4.481 20 5 HIBDMN CC(C)c1ccc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)cc1[N+](=O)[O-] ZINC000439752379 865082710 /nfs/dbraw/zinc/08/27/10/865082710.db2.gz UZJXHAGVGUUZEV-GOSISDBHSA-N 0 1 405.458 4.481 20 5 HIBDMN O=[N+]([O-])c1ccc(OCCN2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)cc1 ZINC000441065029 866149809 /nfs/dbraw/zinc/14/98/09/866149809.db2.gz NYIVXUDHMQXHLV-GFCCVEGCSA-N 0 1 401.410 4.329 20 5 HIBDMN CO[C@H]1CCCC[C@@H]1N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000441234099 866310301 /nfs/dbraw/zinc/31/03/01/866310301.db2.gz PWSIGIMMVGPVIG-UFYCRDLUSA-N 0 1 417.893 4.475 20 5 HIBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc3nc(Cc4ccccc4)oc3c2)c1 ZINC000442330775 867331689 /nfs/dbraw/zinc/33/16/89/867331689.db2.gz FBXDDIBIALLBPE-UHFFFAOYSA-N 0 1 409.423 4.128 20 5 HIBDMN CN(CC1(O)CCCC1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000443867880 868398418 /nfs/dbraw/zinc/39/84/18/868398418.db2.gz KVKDMLCWMZYIKZ-IBGZPJMESA-N 0 1 417.893 4.165 20 5 HIBDMN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000445177245 869260606 /nfs/dbraw/zinc/26/06/06/869260606.db2.gz GNWYDPPYKXSMDX-HKUYNNGSSA-N 0 1 411.505 4.247 20 5 HIBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000446483584 870396062 /nfs/dbraw/zinc/39/60/62/870396062.db2.gz DBPBBKIULUDTRH-QGZVFWFLSA-N 0 1 410.396 4.346 20 5 HIBDMN C[C@H](NCc1cnn(-c2ccc(Br)cc2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000447031816 870906851 /nfs/dbraw/zinc/90/68/51/870906851.db2.gz UAGQJJYISMMJGQ-ZDUSSCGKSA-N 0 1 401.264 4.394 20 5 HIBDMN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1cc(Br)c3c(c1)OCCO3)CCC2 ZINC000447532443 871398120 /nfs/dbraw/zinc/39/81/20/871398120.db2.gz WCFCZJGNBJVKIR-QGZVFWFLSA-N 0 1 419.275 4.296 20 5 HIBDMN C[C@@H]1CN(Cc2ccc(C[NH2+][C@@H]3CCCc4ccc([N+](=O)[O-])cc43)cc2)C[C@H](C)O1 ZINC000447540084 871407710 /nfs/dbraw/zinc/40/77/10/871407710.db2.gz ISFXFSWRICEBKC-NXMSCROESA-N 0 1 409.530 4.371 20 5 HIBDMN C[C@@H]1CCCN(c2ccc(-c3nc(-c4ccn5cncc5c4)no3)cc2[N+](=O)[O-])C1 ZINC000447962065 871825624 /nfs/dbraw/zinc/82/56/24/871825624.db2.gz JLQYECPQVDMJGZ-CQSZACIVSA-N 0 1 404.430 4.196 20 5 HIBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1CCc2c1cccc2F ZINC000462511468 875629388 /nfs/dbraw/zinc/62/93/88/875629388.db2.gz GOWPEWDUMONZEI-CYBMUJFWSA-N 0 1 405.234 4.007 20 5 HIBDMN O=[N+]([O-])c1cccc(CCc2nc(-c3ccc4[nH]c(-c5cscn5)nc4c3)no2)c1 ZINC000463182654 876239750 /nfs/dbraw/zinc/23/97/50/876239750.db2.gz UJZAUPCNDJKTAA-UHFFFAOYSA-N 0 1 418.438 4.430 20 5 HIBDMN CC(C)(CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000463423904 876479252 /nfs/dbraw/zinc/47/92/52/876479252.db2.gz MHGLWHDDAYTGOR-UHFFFAOYSA-N 0 1 421.419 4.180 20 5 HIBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Oc3ccncc3)cc2)c2ncccc12 ZINC000463526080 876597320 /nfs/dbraw/zinc/59/73/20/876597320.db2.gz DZVDMYUDEPUCRB-UHFFFAOYSA-N 0 1 422.422 4.131 20 5 HIBDMN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000463974718 877101477 /nfs/dbraw/zinc/10/14/77/877101477.db2.gz JAWZLZKPIUBVQV-KRWDZBQOSA-N 0 1 406.446 4.366 20 5 HIBDMN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000463974718 877101496 /nfs/dbraw/zinc/10/14/96/877101496.db2.gz JAWZLZKPIUBVQV-KRWDZBQOSA-N 0 1 406.446 4.366 20 5 HIBDMN Cc1nn(C(C)(C)C)cc1[C@@H](C)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000464609177 877836540 /nfs/dbraw/zinc/83/65/40/877836540.db2.gz OZPPGEDEGCNKLT-DGCLKSJQSA-N 0 1 407.902 4.186 20 5 HIBDMN CO[C@@H](CN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C(C)C ZINC000465406921 878841764 /nfs/dbraw/zinc/84/17/64/878841764.db2.gz OJJIORYHFIPJRN-OALUTQOASA-N 0 1 405.882 4.189 20 5 HIBDMN O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cccc(-c2nnc[nH]2)c1 ZINC000503431471 912431537 /nfs/dbraw/zinc/43/15/37/912431537.db2.gz ZISPGZSNAZGARA-UHFFFAOYSA-N 0 1 401.382 4.425 20 5 HIBDMN COc1cc(CN2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)c([N+](=O)[O-])cc1F ZINC000466206661 879896635 /nfs/dbraw/zinc/89/66/35/879896635.db2.gz WUXIRRGZIPNCAX-GFCCVEGCSA-N 0 1 403.385 4.402 20 5 HIBDMN O=C(N[C@H]1CCN(C2CC2)C1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000466627630 880400002 /nfs/dbraw/zinc/40/00/02/880400002.db2.gz MMDRDFNVBUCMFE-AWEZNQCLSA-N 0 1 417.918 4.366 20 5 HIBDMN CN(C[C@@H]1CCCOC1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000467140688 880883734 /nfs/dbraw/zinc/88/37/34/880883734.db2.gz ZBEYYJYRWZCJLN-MGPUTAFESA-N 0 1 417.893 4.286 20 5 HIBDMN CN(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccc(C(F)(F)F)c1 ZINC000470603184 885031401 /nfs/dbraw/zinc/03/14/01/885031401.db2.gz WINBVYWYDWPTOH-MRXNPFEDSA-N 0 1 415.799 4.300 20 5 HIBDMN COc1ccc(-c2n[nH]c(Sc3nc4ccccc4cc3[N+](=O)[O-])n2)c(OC)c1 ZINC000473518344 888250109 /nfs/dbraw/zinc/25/01/09/888250109.db2.gz DFEQVULNRVNYNH-UHFFFAOYSA-N 0 1 409.427 4.097 20 5 HIBDMN COC(=O)COc1ccc(CN[C@@H](C)c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000474366183 889244625 /nfs/dbraw/zinc/24/46/25/889244625.db2.gz AJJUUPYQUYTHMR-LBPRGKRZSA-N 0 1 412.364 4.016 20 5 HIBDMN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000475566753 890498219 /nfs/dbraw/zinc/49/82/19/890498219.db2.gz AICJXWTWZFHFLT-KRWDZBQOSA-N 0 1 420.473 4.408 20 5 HIBDMN CC[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@]2(CCOC2)O1 ZINC000475628184 890566933 /nfs/dbraw/zinc/56/69/33/890566933.db2.gz ZUHWENRATKTREY-YWZLYKJASA-N 0 1 406.866 4.278 20 5 HIBDMN CCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC000476133908 891057080 /nfs/dbraw/zinc/05/70/80/891057080.db2.gz DZLMVUDQLOWJHB-FQEVSTJZSA-N 0 1 413.380 4.225 20 5 HIBDMN Cc1ccc2nc(CNC(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)[nH]c2c1 ZINC000476911634 891862817 /nfs/dbraw/zinc/86/28/17/891862817.db2.gz IOYFZEFSDPNEMO-UHFFFAOYSA-N 0 1 418.403 4.074 20 5 HIBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000477015824 891943766 /nfs/dbraw/zinc/94/37/66/891943766.db2.gz YPCNYNJVMUBHLT-UONOGXRCSA-N 0 1 405.882 4.319 20 5 HIBDMN CCOc1ccc([C@H](C)NCc2ccc(NC(=O)NC(C)C)cc2)cc1[N+](=O)[O-] ZINC000504894420 913625046 /nfs/dbraw/zinc/62/50/46/913625046.db2.gz LPBBPYIDQONBNP-HNNXBMFYSA-N 0 1 400.479 4.374 20 5 HIBDMN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000477615078 892708927 /nfs/dbraw/zinc/70/89/27/892708927.db2.gz ZFGHPSFAIYWQRG-UHFFFAOYSA-N 0 1 401.894 4.123 20 5 HIBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCCCC[C@H]1c1noc(-c2ccccc2)n1 ZINC000477788513 892868114 /nfs/dbraw/zinc/86/81/14/892868114.db2.gz KGZBFFNHLGDEHH-SFHVURJKSA-N 0 1 408.414 4.108 20 5 HIBDMN COc1cc(C(=O)Nc2ccc(CN3CCSCC3)cc2C)cc([N+](=O)[O-])c1C ZINC000479945706 895299528 /nfs/dbraw/zinc/29/95/28/895299528.db2.gz HMGHHSQUGVCMEG-UHFFFAOYSA-N 0 1 415.515 4.021 20 5 HIBDMN CCc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cnn1-c1cccc(C)c1 ZINC000480190327 895588765 /nfs/dbraw/zinc/58/87/65/895588765.db2.gz ASEKMMOVANVECN-UHFFFAOYSA-N 0 1 420.878 4.106 20 5 HIBDMN O=[N+]([O-])c1ccc(CN(Cc2nc3ccc(Br)cc3[nH]2)C2CC2)cc1 ZINC000480860715 896227140 /nfs/dbraw/zinc/22/71/40/896227140.db2.gz AYNMNMYAGWQZLS-UHFFFAOYSA-N 0 1 401.264 4.398 20 5 HIBDMN CCC[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1C)C(=O)N1CCc2sccc2C1 ZINC000482246820 897728146 /nfs/dbraw/zinc/72/81/46/897728146.db2.gz LFPUXBZVEOOISR-CRAIPNDOSA-N 0 1 401.532 4.369 20 5 HIBDMN Cc1c([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000482534670 898120571 /nfs/dbraw/zinc/12/05/71/898120571.db2.gz JUFCDYBTENLLPE-DLBZAZTESA-N 0 1 400.498 4.206 20 5 HIBDMN C[C@@H]1CCCCN1CC(=O)Nc1ccc(F)c(NCc2ccccc2[N+](=O)[O-])c1 ZINC000482667664 898269681 /nfs/dbraw/zinc/26/96/81/898269681.db2.gz WOVYDNLUXTUQNZ-OAHLLOKOSA-N 0 1 400.454 4.159 20 5 HIBDMN CCCOc1cc(NC(=O)N[C@@H]2CCCc3cn[nH]c32)c([N+](=O)[O-])cc1OCCC ZINC000482743354 898347680 /nfs/dbraw/zinc/34/76/80/898347680.db2.gz CRGOKMGHNHBZPZ-CQSZACIVSA-N 0 1 417.466 4.095 20 5 HIBDMN Cc1[nH]nc(C(=O)N(C)[C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000482769089 898377858 /nfs/dbraw/zinc/37/78/58/898377858.db2.gz JSTAPWGESKBVTJ-SFHVURJKSA-N 0 1 402.813 4.280 20 5 HIBDMN O=C(Nc1nc(-c2cc3ccccc3o2)n[nH]1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000485123343 900428232 /nfs/dbraw/zinc/42/82/32/900428232.db2.gz UUANPVFEGILZJX-UHFFFAOYSA-N 0 1 421.416 4.465 20 5 HIBDMN O=C(N[C@H](COc1ccccc1F)c1ccccc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000485258203 900543295 /nfs/dbraw/zinc/54/32/95/900543295.db2.gz ONRNKULDKURKDU-LJQANCHMSA-N 0 1 420.400 4.160 20 5 HIBDMN Cc1c(NS(=O)(=O)c2ccc(F)cc2Cl)cc(Br)cc1[N+](=O)[O-] ZINC000485395065 900692401 /nfs/dbraw/zinc/69/24/01/900692401.db2.gz CAOOCOFWMWSMBS-UHFFFAOYSA-N 0 1 423.647 4.259 20 5 HIBDMN Cc1ccc(-c2nc(=O)c3sc(-c4ccc5c(c4)OCO5)cc3[nH]2)cc1[N+](=O)[O-] ZINC000486435105 901593185 /nfs/dbraw/zinc/59/31/85/901593185.db2.gz QKKDXYHDTOJLCA-UHFFFAOYSA-N 0 1 407.407 4.264 20 5 HIBDMN O=C(Nc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1)c1ccc(Cl)cc1 ZINC000505958354 914615429 /nfs/dbraw/zinc/61/54/29/914615429.db2.gz GRIFJENQTWUXFW-UHFFFAOYSA-N 0 1 411.801 4.458 20 5 HIBDMN C[C@H](Nc1ccc(C(=O)Nc2nc3ccc(F)cc3[nH]2)cc1[N+](=O)[O-])c1ccccn1 ZINC000488923198 903078086 /nfs/dbraw/zinc/07/80/86/903078086.db2.gz YBLFYWYBZHHKMQ-LBPRGKRZSA-N 0 1 420.404 4.431 20 5 HIBDMN O=[N+]([O-])c1cccc([C@@H](NCCCS(=O)(=O)Cc2ccccc2)c2ccccc2)c1 ZINC000490164524 903805422 /nfs/dbraw/zinc/80/54/22/903805422.db2.gz OGQKSJXEFJMMKK-QHCPKHFHSA-N 0 1 424.522 4.279 20 5 HIBDMN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000490297716 903885118 /nfs/dbraw/zinc/88/51/18/903885118.db2.gz DEKWUJFQNCGBGC-UHFFFAOYSA-N 0 1 403.320 4.083 20 5 HIBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000490361662 903954394 /nfs/dbraw/zinc/95/43/94/903954394.db2.gz FFVQIQQGESBOQO-KBPBESRZSA-N 0 1 417.347 4.141 20 5 HIBDMN O=C(C[C@H](c1ccccc1)C(F)(F)F)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000490365189 903957321 /nfs/dbraw/zinc/95/73/21/903957321.db2.gz JJWNGAFXNVCZKY-CQSZACIVSA-N 0 1 405.336 4.055 20 5 HIBDMN Cc1cc(C)c(C(=O)CCCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c(C)c1 ZINC000490375726 903968781 /nfs/dbraw/zinc/96/87/81/903968781.db2.gz WRKDQCJVDSEKGV-UHFFFAOYSA-N 0 1 421.457 4.297 20 5 HIBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000490548497 904092935 /nfs/dbraw/zinc/09/29/35/904092935.db2.gz WJQCRSXCVJUVIH-MRXNPFEDSA-N 0 1 415.247 4.211 20 5 HIBDMN COc1cc(CN2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)ccc1[N+](=O)[O-] ZINC000492913662 904951503 /nfs/dbraw/zinc/95/15/03/904951503.db2.gz UYUIARNGEMVCKX-LBPRGKRZSA-N 0 1 401.410 4.458 20 5 HIBDMN CN(C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)[C@H]1CCCN(C)C1 ZINC000494552579 905831311 /nfs/dbraw/zinc/83/13/11/905831311.db2.gz JTJDKQMJVKRODU-KRWDZBQOSA-N 0 1 416.909 4.027 20 5 HIBDMN CCN(CCNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)CCC(F)(F)F ZINC000494621091 905867577 /nfs/dbraw/zinc/86/75/77/905867577.db2.gz PYJNQUBGFWJNET-UHFFFAOYSA-N 0 1 416.322 4.009 20 5 HIBDMN O=C(c1ccccc1)c1ccc(N2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c([N+](=O)[O-])c1 ZINC000497535793 907026138 /nfs/dbraw/zinc/02/61/38/907026138.db2.gz AXDDCPRHSABZHJ-SFHVURJKSA-N 0 1 417.469 4.205 20 5 HIBDMN O=C(c1ccccc1)c1ccc(N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c([N+](=O)[O-])c1 ZINC000497535793 907026160 /nfs/dbraw/zinc/02/61/60/907026160.db2.gz AXDDCPRHSABZHJ-SFHVURJKSA-N 0 1 417.469 4.205 20 5 HIBDMN O=C(c1ccc(Nc2ccncc2)cc1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498149010 907672707 /nfs/dbraw/zinc/67/27/07/907672707.db2.gz AXPZDNAKTZFXGH-OAQYLSRUSA-N 0 1 406.467 4.043 20 5 HIBDMN Cc1c(CN2CCSCC2)cccc1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498176042 907707365 /nfs/dbraw/zinc/70/73/65/907707365.db2.gz IVZDPCFWRSPEAH-UHFFFAOYSA-N 0 1 422.510 4.253 20 5 HIBDMN COCCn1cc(CNCc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)cn1 ZINC000500376484 909824029 /nfs/dbraw/zinc/82/40/29/909824029.db2.gz KXSIDBRSCJKGCI-UHFFFAOYSA-N 0 1 412.515 4.187 20 5 HIBDMN CC(C)c1[nH]nc(C(=O)N2CCCCC[C@H]2c2noc(-c3ccccc3)n2)c1[N+](=O)[O-] ZINC000501836401 910877892 /nfs/dbraw/zinc/87/78/92/910877892.db2.gz WLEZTLFPMROWFY-HNNXBMFYSA-N 0 1 424.461 4.249 20 5 HIBDMN COC1(CN[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCC1 ZINC000502597151 911600989 /nfs/dbraw/zinc/60/09/89/911600989.db2.gz RBSRYAJIIDLLJL-GOSISDBHSA-N 0 1 403.866 4.087 20 5 HIBDMN COc1cc(CSc2nc(-c3ccccc3)n[nH]2)c([N+](=O)[O-])cc1OCC(F)F ZINC000502900825 911891530 /nfs/dbraw/zinc/89/15/30/911891530.db2.gz YPVXEBFNBHWOKX-UHFFFAOYSA-N 0 1 422.413 4.325 20 5 HIBDMN O=C(NC1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1)c1ccc(F)cc1 ZINC000506483476 915087687 /nfs/dbraw/zinc/08/76/87/915087687.db2.gz WWRVDCDWUNYRFD-UHFFFAOYSA-N 0 1 423.444 4.388 20 5 HIBDMN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3cc(O)cc([N+](=O)[O-])c3)s2)cc1 ZINC000506493850 915101827 /nfs/dbraw/zinc/10/18/27/915101827.db2.gz KAHZZEIYKZXCSR-LLVKDONJSA-N 0 1 413.455 4.232 20 5 HIBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000506683267 915360592 /nfs/dbraw/zinc/36/05/92/915360592.db2.gz PVWXJNACVAUMBB-GOSISDBHSA-N 0 1 412.833 4.321 20 5 HIBDMN O=C(NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506733151 915418559 /nfs/dbraw/zinc/41/85/59/915418559.db2.gz RDLFIVXOQAJYNK-UHFFFAOYSA-N 0 1 423.372 4.373 20 5 HIBDMN Cc1ccc(OC2CCN(Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000508013218 916852026 /nfs/dbraw/zinc/85/20/26/916852026.db2.gz GZXPGWIUUVKFFI-UHFFFAOYSA-N 0 1 406.486 4.347 20 5 HIBDMN Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000508322190 917128623 /nfs/dbraw/zinc/12/86/23/917128623.db2.gz NAFFJOMZBZGOOJ-MAUKXSAKSA-N 0 1 420.473 4.296 20 5 HIBDMN Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)cc1[N+](=O)[O-] ZINC000508322190 917128632 /nfs/dbraw/zinc/12/86/32/917128632.db2.gz NAFFJOMZBZGOOJ-MAUKXSAKSA-N 0 1 420.473 4.296 20 5 HIBDMN C[C@H]1CC[C@@H](C(N)=O)CN1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000508582822 917353582 /nfs/dbraw/zinc/35/35/82/917353582.db2.gz NYXCZPRVBLKCRE-DZGCQCFKSA-N 0 1 403.866 4.126 20 5 HIBDMN CCCN(C(=O)c1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000509182209 917891555 /nfs/dbraw/zinc/89/15/55/917891555.db2.gz ZAGZWBNBVBSCSA-HXUWFJFHSA-N 0 1 411.502 4.120 20 5 HIBDMN Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)c([N+](=O)[O-])c1 ZINC000509551211 918201276 /nfs/dbraw/zinc/20/12/76/918201276.db2.gz AKLBGGGILYXSHB-UHFFFAOYSA-N 0 1 403.391 4.030 20 5 HIBDMN CCOc1ccc([N+](=O)[O-])cc1CNCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000509598580 918248079 /nfs/dbraw/zinc/24/80/79/918248079.db2.gz GKEAPYPMOAGJOI-UHFFFAOYSA-N 0 1 420.391 4.488 20 5 HIBDMN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)N(C)C ZINC000510556073 919000550 /nfs/dbraw/zinc/00/05/50/919000550.db2.gz XFNMAERMIDIRKL-MZNJEOGPSA-N 0 1 413.521 4.411 20 5 HIBDMN O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000513699469 922020963 /nfs/dbraw/zinc/02/09/63/922020963.db2.gz NOAXMARSFKEMTB-MRXNPFEDSA-N 0 1 418.356 4.176 20 5 HIBDMN COc1cc(CN(CCc2nccs2)C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000513976770 922297592 /nfs/dbraw/zinc/29/75/92/922297592.db2.gz DESIHDYZWCNJKP-UHFFFAOYSA-N 0 1 401.435 4.114 20 5 HIBDMN Cc1c(NC(=O)[C@@H](C)Sc2nc(C=Cc3ccccc3)n[nH]2)cccc1[N+](=O)[O-] ZINC000514968642 922859024 /nfs/dbraw/zinc/85/90/24/922859024.db2.gz POAGXYYNLMJRBM-GCZGRYASSA-N 0 1 409.471 4.311 20 5 HIBDMN Nc1c(C(=O)Nc2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)cc(F)cc1[N+](=O)[O-] ZINC000517316127 924097930 /nfs/dbraw/zinc/09/79/30/924097930.db2.gz UOFTZPMCWMOSCN-UHFFFAOYSA-N 0 1 409.352 4.251 20 5 HIBDMN Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc(C(C)(C)C)no3)cc2)cc1[N+](=O)[O-] ZINC000518331753 927196842 /nfs/dbraw/zinc/19/68/42/927196842.db2.gz XCOSPRJOSZNPEP-UHFFFAOYSA-N 0 1 416.459 4.052 20 5 HIBDMN CN(c1ccccc1)c1ccc(CNCc2ccnc(-n3cccn3)c2)cc1[N+](=O)[O-] ZINC000518770916 927484560 /nfs/dbraw/zinc/48/45/60/927484560.db2.gz HAXPEIYQOGPRGB-UHFFFAOYSA-N 0 1 414.469 4.233 20 5 HIBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(-c2nc(C)c(C)o2)c1 ZINC000519201982 927825080 /nfs/dbraw/zinc/82/50/80/927825080.db2.gz PCOYBAWVEOWNBV-UHFFFAOYSA-N 0 1 401.444 4.230 20 5 HIBDMN O=C(Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000520027162 928248689 /nfs/dbraw/zinc/24/86/89/928248689.db2.gz PMCKTWLWDDSIGW-UHFFFAOYSA-N 0 1 420.356 4.258 20 5 HIBDMN Cc1ccc2[nH]c([C@@H]3CCCN3CCC(=O)Nc3cccc([N+](=O)[O-])c3C)nc2c1 ZINC000521686432 929367332 /nfs/dbraw/zinc/36/73/32/929367332.db2.gz XNGFXLQZFPLCQY-FQEVSTJZSA-N 0 1 407.474 4.254 20 5 HIBDMN Cc1ccc2nc([C@@H]3CCCN3CCC(=O)Nc3cccc([N+](=O)[O-])c3C)[nH]c2c1 ZINC000521686432 929367367 /nfs/dbraw/zinc/36/73/67/929367367.db2.gz XNGFXLQZFPLCQY-FQEVSTJZSA-N 0 1 407.474 4.254 20 5 HIBDMN Cn1cc(C(=O)Nc2ccc3nc(C(C)(C)C)[nH]c3c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000524516371 929661085 /nfs/dbraw/zinc/66/10/85/929661085.db2.gz JSZRLAYVODSMJP-UHFFFAOYSA-N 0 1 418.457 4.421 20 5 HIBDMN CCCc1[nH]nc(C(=O)N2CCC[C@H](Cc3cc(Cl)ccc3OC)C2)c1[N+](=O)[O-] ZINC000525489519 930276760 /nfs/dbraw/zinc/27/67/60/930276760.db2.gz JWWUBZWZNMITSI-CYBMUJFWSA-N 0 1 420.897 4.027 20 5 HIBDMN COc1cc(C(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)cc([N+](=O)[O-])c1OC ZINC000525578512 930341667 /nfs/dbraw/zinc/34/16/67/930341667.db2.gz QVHQMTOFQAKALJ-UHFFFAOYSA-N 0 1 408.370 4.001 20 5 HIBDMN Cc1ccc([C@H](C)NC(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)C)cc1[N+](=O)[O-] ZINC000530994151 930879387 /nfs/dbraw/zinc/87/93/87/930879387.db2.gz VPFNTIKZCOZGDK-LIRRHRJNSA-N 0 1 404.898 4.220 20 5 HIBDMN COc1ccc(CN[C@@H]2CCCc3c[nH]nc32)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531696749 931159707 /nfs/dbraw/zinc/15/97/07/931159707.db2.gz CLWVPCDSGLRTJB-LJQANCHMSA-N 0 1 408.458 4.073 20 5 HIBDMN CN(C)[C@@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(Cl)cc1 ZINC000532650974 931568019 /nfs/dbraw/zinc/56/80/19/931568019.db2.gz OKCDLMZCNNWGIY-FQEVSTJZSA-N 0 1 416.909 4.225 20 5 HIBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CNC1(c2cccc(Br)c2)CCC1 ZINC000532690813 931587879 /nfs/dbraw/zinc/58/78/79/931587879.db2.gz VMQVHUUTWVOTNB-UHFFFAOYSA-N 0 1 418.291 4.273 20 5 HIBDMN O=C(CNC1(c2ccc(Cl)cc2)CCOCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000532713676 931604325 /nfs/dbraw/zinc/60/43/25/931604325.db2.gz CAXKQGRCRDFOBP-UHFFFAOYSA-N 0 1 424.284 4.136 20 5 HIBDMN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCN(c4cccc(Cl)c4)CC3)o2)c1 ZINC000532760239 931624245 /nfs/dbraw/zinc/62/42/45/931624245.db2.gz UKFSHRUYGCCKMN-UHFFFAOYSA-N 0 1 412.877 4.268 20 5 HIBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000533059692 931757549 /nfs/dbraw/zinc/75/75/49/931757549.db2.gz ZJBLBJMWCVAFAX-CQSZACIVSA-N 0 1 418.457 4.462 20 5 HIBDMN CN1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534242208 932360986 /nfs/dbraw/zinc/36/09/86/932360986.db2.gz IILAWEZDOIDQRY-SCLBCKFNSA-N 0 1 406.845 4.202 20 5 HIBDMN Cn1cc(-c2ccccc2CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cn1 ZINC000534646290 932618747 /nfs/dbraw/zinc/61/87/47/932618747.db2.gz QMLQTDBPFHDRCX-UHFFFAOYSA-N 0 1 405.483 4.409 20 5 HIBDMN CCOc1cc(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)c([N+](=O)[O-])cc1OC ZINC000534707432 932678815 /nfs/dbraw/zinc/67/88/15/932678815.db2.gz YRHKWHRMJSWOKH-UHFFFAOYSA-N 0 1 406.345 4.068 20 5 HIBDMN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000534869016 932814773 /nfs/dbraw/zinc/81/47/73/932814773.db2.gz PLRUNCHLFNSVNO-MRXNPFEDSA-N 0 1 412.515 4.190 20 5 HIBDMN COc1cc(S(=O)(=O)Nc2ccccc2NC2CCCCC2)ccc1[N+](=O)[O-] ZINC000535025389 932887503 /nfs/dbraw/zinc/88/75/03/932887503.db2.gz XHJLEFJZVXDENL-UHFFFAOYSA-N 0 1 405.476 4.149 20 5 HIBDMN CN(C[C@@H]1CCC[C@H]1O)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000535115178 932932531 /nfs/dbraw/zinc/93/25/31/932932531.db2.gz DLLQEDFSEOQJAE-BEVDRBHNSA-N 0 1 417.893 4.021 20 5 HIBDMN Cc1c(NS(=O)(=O)c2cc(Br)ccc2Cl)cccc1[N+](=O)[O-] ZINC000535655131 933297703 /nfs/dbraw/zinc/29/77/03/933297703.db2.gz JFGQMCZJSQPUGZ-UHFFFAOYSA-N 0 1 405.657 4.120 20 5 HIBDMN COc1cc(CN2CCC[C@@H]3COCC[C@H]32)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000535799062 933395152 /nfs/dbraw/zinc/39/51/52/933395152.db2.gz AKTCJCPOCCBKPP-UYAOXDASSA-N 0 1 412.486 4.183 20 5 HIBDMN COc1ccc(CNCc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])c(C)c1 ZINC000537321405 933715768 /nfs/dbraw/zinc/71/57/68/933715768.db2.gz LIYCPAAQLYMPOI-UHFFFAOYSA-N 0 1 414.380 4.151 20 5 HIBDMN C[C@H](N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000537346704 933728880 /nfs/dbraw/zinc/72/88/80/933728880.db2.gz BJQRRZUGIIXYBD-IFXJQAMLSA-N 0 1 421.419 4.455 20 5 HIBDMN Cc1c(CN2CCC(O)(Cc3ccc(OC(F)(F)F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000537536402 938318115 /nfs/dbraw/zinc/31/81/15/938318115.db2.gz JXCULOXKOCJGLK-UHFFFAOYSA-N 0 1 424.419 4.371 20 5 HIBDMN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CCC[C@H]3COCC[C@@H]32)cc1 ZINC000537689132 938355266 /nfs/dbraw/zinc/35/52/66/938355266.db2.gz HBXCTDJFSQWEKJ-CVDCTZTESA-N 0 1 418.497 4.448 20 5 HIBDMN CCCc1[nH]nc(C(=O)N2CCC(c3ccc(C(F)(F)F)cc3)CC2)c1[N+](=O)[O-] ZINC000538032047 938474032 /nfs/dbraw/zinc/47/40/32/938474032.db2.gz CZCJWZHBGGLCCO-UHFFFAOYSA-N 0 1 410.396 4.309 20 5 HIBDMN COc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2cccc(OC(C)C)c2)c([N+](=O)[O-])c1 ZINC000538126437 938512600 /nfs/dbraw/zinc/51/26/00/938512600.db2.gz VCQOITGSFXWEFE-GJZGRUSLSA-N 0 1 401.463 4.068 20 5 HIBDMN C[C@@H](NCC(=O)N(C)C(c1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000538174398 938536174 /nfs/dbraw/zinc/53/61/74/938536174.db2.gz HOHNSAYGZYTCQH-GOSISDBHSA-N 0 1 403.482 4.493 20 5 HIBDMN COc1cc(CN[C@H](C[C@H]2CCOC2)c2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000538234502 938568087 /nfs/dbraw/zinc/56/80/87/938568087.db2.gz RCNQRKVKBBEBTF-RHSMWYFYSA-N 0 1 422.428 4.462 20 5 HIBDMN CCC[C@H](NCc1ccc(S(=O)(=O)N(CC)CC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000539074921 938795618 /nfs/dbraw/zinc/79/56/18/938795618.db2.gz KFMVHCZJKLJVOL-NRFANRHFSA-N 0 1 419.547 4.256 20 5 HIBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000539264912 938829756 /nfs/dbraw/zinc/82/97/56/938829756.db2.gz MJQMYSWODQKAHH-ZDUSSCGKSA-N 0 1 411.380 4.134 20 5 HIBDMN Cc1cccc(COc2ccc([C@@H](C)NCc3ccc(C(N)=O)cc3[N+](=O)[O-])cc2)c1 ZINC000539305355 938837686 /nfs/dbraw/zinc/83/76/86/938837686.db2.gz PMDRUHBOMPDPAZ-QGZVFWFLSA-N 0 1 419.481 4.432 20 5 HIBDMN C[C@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(-c2ccncc2)cc1 ZINC000539338690 938844729 /nfs/dbraw/zinc/84/47/29/938844729.db2.gz HVBRBJWMEZRUTC-KSFYIVLOSA-N 0 1 402.454 4.113 20 5 HIBDMN COc1ccc(NC(=O)CNC2(c3cccc(C(F)(F)F)c3)CCC2)c([N+](=O)[O-])c1 ZINC000539359728 938848099 /nfs/dbraw/zinc/84/80/99/938848099.db2.gz HBOLQHWIQVQHKP-UHFFFAOYSA-N 0 1 423.391 4.230 20 5 HIBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000539893291 938969111 /nfs/dbraw/zinc/96/91/11/938969111.db2.gz OZSRNYVAFDKOLJ-UHFFFAOYSA-N 0 1 414.290 4.306 20 5 HIBDMN COc1ccc(S(=O)(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c(Cl)c1Cl ZINC000540206283 939126542 /nfs/dbraw/zinc/12/65/42/939126542.db2.gz VZSNMULUHORANA-UHFFFAOYSA-N 0 1 405.259 4.328 20 5 HIBDMN CCOc1ccc(NC(=O)CN[C@@H](C)c2ccc(OC(C)C)cc2)c([N+](=O)[O-])c1 ZINC000540361604 939210047 /nfs/dbraw/zinc/21/00/47/939210047.db2.gz KIAVGTCOXJNYPW-HNNXBMFYSA-N 0 1 401.463 4.070 20 5 HIBDMN C[C@@H](NCC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000540376075 939216447 /nfs/dbraw/zinc/21/64/47/939216447.db2.gz NXZLZQBPYZNLQW-CQSZACIVSA-N 0 1 421.419 4.455 20 5 HIBDMN C[C@@H](NCC(=O)Nc1ccc(OCc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000540378103 939218083 /nfs/dbraw/zinc/21/80/83/939218083.db2.gz BXRJYVCGZFMOMV-QGZVFWFLSA-N 0 1 405.454 4.463 20 5 HIBDMN C[C@H](NC(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1)c1ccccc1[N+](=O)[O-] ZINC000540391404 939230131 /nfs/dbraw/zinc/23/01/31/939230131.db2.gz PFOAOSGHBJHWIZ-HNNXBMFYSA-N 0 1 420.473 4.030 20 5 HIBDMN C[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(OCC2CC2)c(F)c1 ZINC000540423772 939243699 /nfs/dbraw/zinc/24/36/99/939243699.db2.gz GEKODAHDDNHHFN-KGLIPLIRSA-N 0 1 401.438 4.201 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000540440465 939251271 /nfs/dbraw/zinc/25/12/71/939251271.db2.gz WKVVQYDOFGLSTE-HOTGVXAUSA-N 0 1 420.469 4.343 20 5 HIBDMN Cc1ccc([C@H](C)NCC(=O)Nc2nc(-c3cccs3)cs2)cc1[N+](=O)[O-] ZINC000540475746 939267203 /nfs/dbraw/zinc/26/72/03/939267203.db2.gz CIUSTYBGWFJRQJ-LBPRGKRZSA-N 0 1 402.501 4.378 20 5 HIBDMN C[C@H](N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000540753985 939359981 /nfs/dbraw/zinc/35/99/81/939359981.db2.gz UFAFUMOYTXGYFP-FDDCHVKYSA-N 0 1 403.482 4.173 20 5 HIBDMN CC(C)(C(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1ccc([N+](=O)[O-])cc1 ZINC000540856186 939397222 /nfs/dbraw/zinc/39/72/22/939397222.db2.gz KFXGLUNGEORZKI-UHFFFAOYSA-N 0 1 401.426 4.449 20 5 HIBDMN CN1CC[C@@H](CNc2ncnc3cccc([N+](=O)[O-])c32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000541576025 939559088 /nfs/dbraw/zinc/55/90/88/939559088.db2.gz QPFZJMPHAFNFPL-DJJJIMSYSA-N 0 1 415.856 4.435 20 5 HIBDMN Cc1c(CN2CCSCC2)cccc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000541606319 939567686 /nfs/dbraw/zinc/56/76/86/939567686.db2.gz ZLMKPHLNABPYHN-OAHLLOKOSA-N 0 1 417.506 4.333 20 5 HIBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@@H](c3ccnn3C)C2)cc1OC ZINC000542916954 939877504 /nfs/dbraw/zinc/87/75/04/939877504.db2.gz RDZGAPBESYXSDW-IAGOWNOFSA-N 0 1 416.522 4.141 20 5 HIBDMN CCC(=O)c1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1 ZINC000542931328 939880792 /nfs/dbraw/zinc/88/07/92/939880792.db2.gz AEORCFXCKXYVNW-UHFFFAOYSA-N 0 1 402.350 4.007 20 5 HIBDMN CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000543049239 939909673 /nfs/dbraw/zinc/90/96/73/939909673.db2.gz TXVBNFDUVKULGY-CQSZACIVSA-N 0 1 424.423 4.079 20 5 HIBDMN Cc1c(Br)c(NC2CCN([C@@H](C)c3ccncc3)CC2)ncc1[N+](=O)[O-] ZINC000543437491 940063839 /nfs/dbraw/zinc/06/38/39/940063839.db2.gz VSODFEIZGLGYEA-ZDUSSCGKSA-N 0 1 420.311 4.093 20 5 HIBDMN CC[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000543498311 940085625 /nfs/dbraw/zinc/08/56/25/940085625.db2.gz WJUDUTHQCMGFJC-JTQLQIEISA-N 0 1 402.398 4.140 20 5 HIBDMN C[C@H](C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000543561519 940109428 /nfs/dbraw/zinc/10/94/28/940109428.db2.gz RCCPSIHTHKFTSL-XOBRGWDASA-N 0 1 419.884 4.444 20 5 HIBDMN CC(C)c1ccc(OC2CCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000544072515 940317833 /nfs/dbraw/zinc/31/78/33/940317833.db2.gz ZFEWEVFRNHENHG-IBGZPJMESA-N 0 1 414.502 4.001 20 5 HIBDMN C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000544471290 940446323 /nfs/dbraw/zinc/44/63/23/940446323.db2.gz NXUYDXFDZOQGNB-LLVKDONJSA-N 0 1 422.308 4.028 20 5 HIBDMN Cc1c(Cc2noc(-c3ccc(CN4C[C@H](C)O[C@@H](C)C4)cc3)n2)cccc1[N+](=O)[O-] ZINC000545781368 940589223 /nfs/dbraw/zinc/58/92/23/940589223.db2.gz QVKAIMNKIUAQAK-HOTGVXAUSA-N 0 1 422.485 4.153 20 5 HIBDMN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N(CCN1CCCC1)c1ccccc1 ZINC000548038800 941083781 /nfs/dbraw/zinc/08/37/81/941083781.db2.gz OMUZPBSTHFEECS-UHFFFAOYSA-N 0 1 411.505 4.424 20 5 HIBDMN C[C@H](N[C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ncc(Br)cn1 ZINC000551211964 941428296 /nfs/dbraw/zinc/42/82/96/941428296.db2.gz OLMJRIACWRFATE-HEHGZKQESA-N 0 1 405.296 4.209 20 5 HIBDMN O=c1[nH]c(-c2nc(-c3cccc(Br)c3)n[nH]2)nc2cc3ccccc3cc21 ZINC000551596755 941509225 /nfs/dbraw/zinc/50/92/25/941509225.db2.gz VKAPNRABPRKLDN-UHFFFAOYSA-N 0 1 418.254 4.291 20 5 HIBDMN CCS(=O)(=O)c1ccc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1 ZINC000554185702 942060905 /nfs/dbraw/zinc/06/09/05/942060905.db2.gz WCUFIGOGXPHYMQ-UHFFFAOYSA-N 0 1 416.524 4.407 20 5 HIBDMN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000555368739 942498939 /nfs/dbraw/zinc/49/89/39/942498939.db2.gz ZTUJIBXGWNJSHX-ZNXRZULTSA-N 0 1 409.515 4.362 20 5 HIBDMN C[C@H](c1ccc(F)cc1)N1CCC[C@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1=O ZINC000556242060 942824846 /nfs/dbraw/zinc/82/48/46/942824846.db2.gz QSCQLVRDSZDKJM-YDFBLROQSA-N 0 1 411.477 4.453 20 5 HIBDMN C[C@H](c1ccc(F)cc1)N1CCC[C@@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1=O ZINC000556242059 942825056 /nfs/dbraw/zinc/82/50/56/942825056.db2.gz QSCQLVRDSZDKJM-UJUVCNOISA-N 0 1 411.477 4.453 20 5 HIBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)c1 ZINC000558830527 943683444 /nfs/dbraw/zinc/68/34/44/943683444.db2.gz GEIOWIPIRYHGGL-HNNXBMFYSA-N 0 1 408.458 4.198 20 5 HIBDMN COC(=O)COc1ccc([C@@H](C)NCc2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1 ZINC000559155508 943854956 /nfs/dbraw/zinc/85/49/56/943854956.db2.gz OMLXRCDQLIUDLU-GFCCVEGCSA-N 0 1 412.364 4.016 20 5 HIBDMN C[C@]12CCCN1C[C@H](c1noc(-c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)n1)OC2 ZINC000564255079 945470897 /nfs/dbraw/zinc/47/08/97/945470897.db2.gz YXVVJXXMTXJIHI-DENIHFKCSA-N 0 1 421.457 4.314 20 5 HIBDMN CNc1ccc(-c2nc(-c3ccc4[nH]c(-c5cscn5)nc4c3)no2)cc1[N+](=O)[O-] ZINC000565808436 945889560 /nfs/dbraw/zinc/88/95/60/945889560.db2.gz VQVOZAJFOIBFKN-UHFFFAOYSA-N 0 1 419.426 4.353 20 5 HIBDMN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000568436639 946545274 /nfs/dbraw/zinc/54/52/74/946545274.db2.gz WPIWAAPDIFWZBK-IBGZPJMESA-N 0 1 423.847 4.022 20 5 HIBDMN C[C@H](C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000568699587 946665877 /nfs/dbraw/zinc/66/58/77/946665877.db2.gz MTMHGSYGNSWYAJ-UGSOOPFHSA-N 0 1 409.408 4.136 20 5 HIBDMN COc1cc(CNc2ccc(C(=O)N3CCCC[C@@H]3C)cc2C)cc([N+](=O)[O-])c1O ZINC000569206083 946837063 /nfs/dbraw/zinc/83/70/63/946837063.db2.gz CBRXTCFXJCOUQC-HNNXBMFYSA-N 0 1 413.474 4.244 20 5 HIBDMN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000570090651 947092365 /nfs/dbraw/zinc/09/23/65/947092365.db2.gz OZFZBTNLTBFXFE-UHFFFAOYSA-N 0 1 420.473 4.354 20 5 HIBDMN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1nc(-c2ccccc2F)cs1 ZINC000572656984 947970603 /nfs/dbraw/zinc/97/06/03/947970603.db2.gz PJADTIVXCPDCPI-CYBMUJFWSA-N 0 1 414.462 4.364 20 5 HIBDMN CN(CCc1cccc([N+](=O)[O-])c1)CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000573983624 948340717 /nfs/dbraw/zinc/34/07/17/948340717.db2.gz ORMILCOMJOWIJR-RUZDIDTESA-N 0 1 401.315 4.184 20 5 HIBDMN O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164728291 720478751 /nfs/dbraw/zinc/47/87/51/720478751.db2.gz OYIYTEHZTCXLCX-ZWKOTPCHSA-N 0 1 409.877 4.045 20 5 HIBDMN O=C(CSc1n[nH]c(CCC2CCCC2)n1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000012104519 845853816 /nfs/dbraw/zinc/85/38/16/845853816.db2.gz RDOJWWYFJAAZLR-UHFFFAOYSA-N 0 1 409.899 4.220 20 5 HIBDMN O=C(CSc1nc(CCC2CCCC2)n[nH]1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000012104519 845853819 /nfs/dbraw/zinc/85/38/19/845853819.db2.gz RDOJWWYFJAAZLR-UHFFFAOYSA-N 0 1 409.899 4.220 20 5 HIBDMN C[C@@H](Sc1nc(CCC2CCCC2)n[nH]1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000021809906 846497722 /nfs/dbraw/zinc/49/77/22/846497722.db2.gz MGUHJDAOFMVEQT-LLVKDONJSA-N 0 1 407.471 4.094 20 5 HIBDMN C[C@@H](Sc1n[nH]c(CCC2CCCC2)n1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000021809906 846497726 /nfs/dbraw/zinc/49/77/26/846497726.db2.gz MGUHJDAOFMVEQT-LLVKDONJSA-N 0 1 407.471 4.094 20 5 HIBDMN COc1cc([C@H]2Nc3ccccc3C(=O)N2Cc2ccc(C)cc2)cc([N+](=O)[O-])c1O ZINC000024079921 846785700 /nfs/dbraw/zinc/78/57/00/846785700.db2.gz AOWWKTBYEVUDMY-QFIPXVFZSA-N 0 1 419.437 4.384 20 5 HIBDMN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000024316593 846812645 /nfs/dbraw/zinc/81/26/45/846812645.db2.gz ZDRJJIAQHXOUAL-JLHYYAGUSA-N 0 1 401.466 4.106 20 5 HIBDMN COc1ccc(NC(=O)[C@@H](C)N[C@H]2CCSc3ccc(Cl)cc32)c([N+](=O)[O-])c1 ZINC000025216601 846943179 /nfs/dbraw/zinc/94/31/79/846943179.db2.gz UJBSKSUOUQAXSS-ABAIWWIYSA-N 0 1 421.906 4.411 20 5 HIBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1cccc(Cl)c1Cl ZINC000026224865 847106219 /nfs/dbraw/zinc/10/62/19/847106219.db2.gz RJPYXZIOXMCSFR-UHFFFAOYSA-N 0 1 412.273 4.371 20 5 HIBDMN COc1ccc(NC(=O)CCSc2nc3ccc(Cl)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000026251227 847112289 /nfs/dbraw/zinc/11/22/89/847112289.db2.gz OZQDRNVAPYICOK-UHFFFAOYSA-N 0 1 406.851 4.254 20 5 HIBDMN CN(C)[C@H](CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1cccs1 ZINC000027677139 847335220 /nfs/dbraw/zinc/33/52/20/847335220.db2.gz IPJDQLKUDQKCIF-LJQANCHMSA-N 0 1 410.499 4.433 20 5 HIBDMN O=[N+]([O-])c1cc(CSc2nc(-c3ccc(Cl)cc3)n[nH]2)c2c(c1)COCO2 ZINC000028807311 847463607 /nfs/dbraw/zinc/46/36/07/847463607.db2.gz KDNZSUYAUYSZNY-UHFFFAOYSA-N 0 1 404.835 4.192 20 5 HIBDMN COc1cc([C@H](C)N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OC(C)C ZINC000030492465 847721177 /nfs/dbraw/zinc/72/11/77/847721177.db2.gz 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CC(=O)NC[C@H]1CCCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000434992873 860588971 /nfs/dbraw/zinc/58/89/71/860588971.db2.gz VOUSTXBWWOPFOT-QGZVFWFLSA-N 0 1 417.893 4.389 20 5 HIBDMN Cc1c(NC(=O)N(C)Cc2cc(C(C)(C)C)[nH]n2)cc(Br)cc1[N+](=O)[O-] ZINC000435329885 860741540 /nfs/dbraw/zinc/74/15/40/860741540.db2.gz REAGLCIWCHWEKL-UHFFFAOYSA-N 0 1 424.299 4.350 20 5 HIBDMN COc1cccc(C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)c1[N+](=O)[O-] ZINC000435551571 860867363 /nfs/dbraw/zinc/86/73/63/860867363.db2.gz MRUYOPVXCFTKMG-UHFFFAOYSA-N 0 1 420.400 4.462 20 5 HIBDMN CCCN(C(=O)c1cccc(OC)c1[N+](=O)[O-])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000435720702 861005270 /nfs/dbraw/zinc/00/52/70/861005270.db2.gz ZXQJEZQALRSCLG-IBGZPJMESA-N 0 1 411.502 4.120 20 5 HIBDMN Cc1cscc1NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000439185658 864614213 /nfs/dbraw/zinc/61/42/13/864614213.db2.gz DWSILZYHOIZEMM-UHFFFAOYSA-N 0 1 417.468 4.018 20 5 HIBDMN CN(c1ccccc1)c1ccc(CNCc2cccc(N3CCC3=O)c2)cc1[N+](=O)[O-] ZINC000441191106 866263645 /nfs/dbraw/zinc/26/36/45/866263645.db2.gz BAJWNHQUGQAIFA-UHFFFAOYSA-N 0 1 416.481 4.389 20 5 HIBDMN COc1ccc(OCCN2CCC(Oc3cc(C)ccc3C)CC2)c([N+](=O)[O-])c1 ZINC000441225117 866302846 /nfs/dbraw/zinc/30/28/46/866302846.db2.gz DLMCDFWQTOZKQY-UHFFFAOYSA-N 0 1 400.475 4.142 20 5 HIBDMN CO[C@H]1CCCC[C@@H]1N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000441234094 866310342 /nfs/dbraw/zinc/31/03/42/866310342.db2.gz PWSIGIMMVGPVIG-SLFFLAALSA-N 0 1 417.893 4.475 20 5 HIBDMN CC1CCC(N(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]2CCCO2)CC1 ZINC000441463337 866537592 /nfs/dbraw/zinc/53/75/92/866537592.db2.gz KEWATCRPCPNTTG-KVWWFHCMSA-N 0 1 400.479 4.205 20 5 HIBDMN CCN(C(=O)[C@@H](C)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CCCCC1 ZINC000441815153 866876669 /nfs/dbraw/zinc/87/66/69/866876669.db2.gz QSZUFWPUPYYEDY-QGZVFWFLSA-N 0 1 403.523 4.008 20 5 HIBDMN C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Br)s1 ZINC000443337991 867912723 /nfs/dbraw/zinc/91/27/23/867912723.db2.gz 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ZINC000447265513 871148442 /nfs/dbraw/zinc/14/84/42/871148442.db2.gz HJUZXSBDSFZSHP-UHFFFAOYSA-N 0 1 403.391 4.030 20 5 HIBDMN COc1cc(OC)cc([C@H](N[C@@H](C)CCc2ccccc2[N+](=O)[O-])c2nccn2C)c1 ZINC000468510536 882513945 /nfs/dbraw/zinc/51/39/45/882513945.db2.gz GZTJJTUZRAXDBF-AOMKIAJQSA-N 0 1 424.501 4.046 20 5 HIBDMN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2csc(CCc3ccccc3)n2)n1 ZINC000447589085 871493521 /nfs/dbraw/zinc/49/35/21/871493521.db2.gz WWHDNKMMKYYAEP-OALUTQOASA-N 0 1 411.531 4.307 20 5 HIBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc2c1OCC[C@H]2N(C)C ZINC000447721800 871665215 /nfs/dbraw/zinc/66/52/15/871665215.db2.gz HDSJZMJYNPZXEF-SCLBCKFNSA-N 0 1 401.488 4.099 20 5 HIBDMN C[C@@H](c1ccc(F)cc1F)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000460363328 872994958 /nfs/dbraw/zinc/99/49/58/872994958.db2.gz NTIPPEOAQFHYAY-ZDUSSCGKSA-N 0 1 401.417 4.023 20 5 HIBDMN COc1cc(OC)cc(-c2cccc(NCc3cc(OC)c(O)c([N+](=O)[O-])c3)n2)c1 ZINC000461217960 874221665 /nfs/dbraw/zinc/22/16/65/874221665.db2.gz MRPYCOBTGXXZFZ-UHFFFAOYSA-N 0 1 411.414 4.000 20 5 HIBDMN CN(C)[C@H]1CCOc2c(NC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)cccc21 ZINC000468854225 882890779 /nfs/dbraw/zinc/89/07/79/882890779.db2.gz DYSITMPHNZHWTO-SFHVURJKSA-N 0 1 424.482 4.356 20 5 HIBDMN CC[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000462485400 875595086 /nfs/dbraw/zinc/59/50/86/875595086.db2.gz WWDMQMQYGZSFHM-AWEZNQCLSA-N 0 1 419.286 4.340 20 5 HIBDMN O=C1C[C@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CN1[C@@H]1C[C@@H]1c1ccccc1 ZINC000462746349 875815373 /nfs/dbraw/zinc/81/53/73/875815373.db2.gz QKMQJVGIYWUNON-VLCRHTCISA-N 0 1 417.465 4.101 20 5 HIBDMN CN(C)[C@@H]1CCOc2c(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)cccc21 ZINC000468949128 883015418 /nfs/dbraw/zinc/01/54/18/883015418.db2.gz HZNOHQOPTZZQRE-GOSISDBHSA-N 0 1 401.438 4.035 20 5 HIBDMN COc1cc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000469002143 883070053 /nfs/dbraw/zinc/07/00/53/883070053.db2.gz PPIKFLAYIOYCLA-UHFFFAOYSA-N 0 1 410.757 4.076 20 5 HIBDMN COc1ccccc1[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)N1CCCC1 ZINC000463971528 877097659 /nfs/dbraw/zinc/09/76/59/877097659.db2.gz CUOAGKAUZWWIJE-HXUWFJFHSA-N 0 1 412.490 4.179 20 5 HIBDMN CCS[C@H]1CC[C@H](N(C)CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000464779242 878024995 /nfs/dbraw/zinc/02/49/95/878024995.db2.gz UIOROIHXWWPLNW-HOCLYGCPSA-N 0 1 420.560 4.263 20 5 HIBDMN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](NC[C@@H]1CCCS1)c1ccccc1 ZINC000464985876 878334269 /nfs/dbraw/zinc/33/42/69/878334269.db2.gz QXBWYRSSORGLPZ-YJBOKZPZSA-N 0 1 405.907 4.413 20 5 HIBDMN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](NC[C@@H]1CCCS1)c1ccccc1 ZINC000464985874 878335822 /nfs/dbraw/zinc/33/58/22/878335822.db2.gz QXBWYRSSORGLPZ-MAUKXSAKSA-N 0 1 405.907 4.413 20 5 HIBDMN Cc1ccc2nc(CNC(=O)CSc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2c1 ZINC000465191944 878588634 /nfs/dbraw/zinc/58/86/34/878588634.db2.gz LFPGFQOTMDPROP-UHFFFAOYSA-N 0 1 424.404 4.207 20 5 HIBDMN Cc1ccc2nc(CNC(=O)c3ccc(N4C[C@H](C)C[C@@H](C)C4)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000465198128 878602525 /nfs/dbraw/zinc/60/25/25/878602525.db2.gz TXRGRWGYTUWVSC-HZPDHXFCSA-N 0 1 421.501 4.192 20 5 HIBDMN CO[C@H](CN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C(C)C ZINC000465406920 878841522 /nfs/dbraw/zinc/84/15/22/878841522.db2.gz OJJIORYHFIPJRN-MOPGFXCFSA-N 0 1 405.882 4.189 20 5 HIBDMN C[C@H](N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000467001594 880810477 /nfs/dbraw/zinc/81/04/77/880810477.db2.gz IPGMVNFHXGQQQP-BBRMVZONSA-N 0 1 407.392 4.065 20 5 HIBDMN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1cc(Cl)ccc1N1CCOCC1)CCC2 ZINC000467409406 881194159 /nfs/dbraw/zinc/19/41/59/881194159.db2.gz WYAFEEHIOSYOJA-HXUWFJFHSA-N 0 1 401.894 4.252 20 5 HIBDMN Cc1c(NC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)cccc1[N+](=O)[O-] ZINC000469467375 883687767 /nfs/dbraw/zinc/68/77/67/883687767.db2.gz VKBRLCONAGCRBN-KRWDZBQOSA-N 0 1 410.396 4.346 20 5 HIBDMN CN(C)[C@@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000470293954 884667919 /nfs/dbraw/zinc/66/79/19/884667919.db2.gz WVQGIWDZLIYHMD-SFHVURJKSA-N 0 1 424.423 4.058 20 5 HIBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000470928246 885431355 /nfs/dbraw/zinc/43/13/55/885431355.db2.gz BUXWEDOGTNUYRR-UHFFFAOYSA-N 0 1 403.398 4.184 20 5 HIBDMN O=C(Nc1ccc(OC(F)(F)F)c(Br)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000473358939 888082876 /nfs/dbraw/zinc/08/28/76/888082876.db2.gz ZSVKGGNSWMMAOE-UHFFFAOYSA-N 0 1 421.125 4.214 20 5 HIBDMN COC(=O)COc1ccc(CN[C@@H](c2ccccc2F)C2CCCC2)cc1[N+](=O)[O-] ZINC000474364116 889243126 /nfs/dbraw/zinc/24/31/26/889243126.db2.gz TVUUEQAIXONYRZ-JOCHJYFZSA-N 0 1 416.449 4.307 20 5 HIBDMN CCS(=O)(=O)c1ccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)s1 ZINC000475219442 890088658 /nfs/dbraw/zinc/08/86/58/890088658.db2.gz JQALGCHNQZQDQZ-UHFFFAOYSA-N 0 1 422.553 4.468 20 5 HIBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CNC(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC000475720871 890658890 /nfs/dbraw/zinc/65/88/90/890658890.db2.gz YLIGPLBLNRDSOK-UHFFFAOYSA-N 0 1 411.380 4.265 20 5 HIBDMN O=C(Nc1nc(-c2ccccn2)n[nH]1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000480534624 895897945 /nfs/dbraw/zinc/89/79/45/895897945.db2.gz YYBMAFCDQLTIIQ-UHFFFAOYSA-N 0 1 418.438 4.178 20 5 HIBDMN CCC[C@@H](NCc1cccc(NC(=O)Cn2cccn2)c1)c1cccc([N+](=O)[O-])c1 ZINC000480901762 896258154 /nfs/dbraw/zinc/25/81/54/896258154.db2.gz QZPMDNVFIUILTJ-OAQYLSRUSA-N 0 1 407.474 4.061 20 5 HIBDMN C[C@@H](c1cc(F)ccc1F)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000481182773 896523722 /nfs/dbraw/zinc/52/37/22/896523722.db2.gz QCYGSEMQWHWFLO-ZDUSSCGKSA-N 0 1 401.417 4.023 20 5 HIBDMN CNC(=O)C[C@H](NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000481816635 897189673 /nfs/dbraw/zinc/18/96/73/897189673.db2.gz PPUHKYXKLJEMOF-FQEVSTJZSA-N 0 1 423.444 4.493 20 5 HIBDMN CC(=O)N[C@@H](C)C1CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000482501245 898082431 /nfs/dbraw/zinc/08/24/31/898082431.db2.gz IZXVOZHAUHEYGS-HNNXBMFYSA-N 0 1 415.465 4.263 20 5 HIBDMN COCC1=CCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000482516328 898102422 /nfs/dbraw/zinc/10/24/22/898102422.db2.gz ZSSBUFPTSRLCMM-UHFFFAOYSA-N 0 1 404.470 4.226 20 5 HIBDMN C[C@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)[C@H](c1ccccc1)N(C)C ZINC000505592068 914299604 /nfs/dbraw/zinc/29/96/04/914299604.db2.gz QSVNECRZIPSJFJ-NPMXOYFQSA-N 0 1 417.484 4.242 20 5 HIBDMN O=C(Nc1ccc2nc(-c3ccccc3Cl)[nH]c2c1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000484529147 900016887 /nfs/dbraw/zinc/01/68/87/900016887.db2.gz KGXIHYWAJOJJPT-UHFFFAOYSA-N 0 1 409.789 4.144 20 5 HIBDMN COc1cc(CSc2nc(-c3ccccc3Br)n[nH]2)ccc1[N+](=O)[O-] ZINC000484590655 900054857 /nfs/dbraw/zinc/05/48/57/900054857.db2.gz LMXHWBOJIONALU-UHFFFAOYSA-N 0 1 421.276 4.443 20 5 HIBDMN O=C(Nc1nnc(SCc2ccc(Cl)cc2)s1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505728892 914409743 /nfs/dbraw/zinc/40/97/43/914409743.db2.gz GOOKMIGNFABOPO-UHFFFAOYSA-N 0 1 422.875 4.350 20 5 HIBDMN Cc1ccccc1O[C@@H]1CCCC[C@@H]1NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000484655018 900100024 /nfs/dbraw/zinc/10/00/24/900100024.db2.gz YJRJCFYKEMBOSG-AZUAARDMSA-N 0 1 408.458 4.433 20 5 HIBDMN CCCOc1ccccc1Oc1ncccc1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505784605 914450870 /nfs/dbraw/zinc/45/08/70/914450870.db2.gz YHQBFMBDLZYFSB-UHFFFAOYSA-N 0 1 423.425 4.207 20 5 HIBDMN O=[N+]([O-])c1ccc(NCc2n[nH]c(COc3ccccc3)n2)nc1-c1ccc(F)cc1 ZINC000485416560 900714542 /nfs/dbraw/zinc/71/45/42/900714542.db2.gz KVKMDWBATBOCDA-UHFFFAOYSA-N 0 1 420.404 4.105 20 5 HIBDMN C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000485978121 901194765 /nfs/dbraw/zinc/19/47/65/901194765.db2.gz VOCDUOFXMULUFX-SJCJKPOMSA-N 0 1 407.392 4.296 20 5 HIBDMN C[C@@H](N[C@H](C)c1ccc(Oc2cccnc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000487915470 902449397 /nfs/dbraw/zinc/44/93/97/902449397.db2.gz KVDBGIJPMSDSIH-HZPDHXFCSA-N 0 1 406.442 4.460 20 5 HIBDMN O=C(N[C@@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000488217737 902697981 /nfs/dbraw/zinc/69/79/81/902697981.db2.gz LEZAIPNKIPLDRZ-HNNXBMFYSA-N 0 1 423.231 4.478 20 5 HIBDMN O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000488409784 902814021 /nfs/dbraw/zinc/81/40/21/902814021.db2.gz HWTIIVZORNPVEN-MRXNPFEDSA-N 0 1 418.356 4.176 20 5 HIBDMN CCS[C@H]1CC[C@@H](N(C)Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000490342796 903935780 /nfs/dbraw/zinc/93/57/80/903935780.db2.gz VOPJFRRTFNDWFS-KGLIPLIRSA-N 0 1 404.479 4.353 20 5 HIBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000490361669 903953858 /nfs/dbraw/zinc/95/38/58/903953858.db2.gz FFVQIQQGESBOQO-ZIAGYGMSSA-N 0 1 417.347 4.141 20 5 HIBDMN CCO[C@@H]1C[C@@H](N(C)Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C12CCC2 ZINC000490380481 903972465 /nfs/dbraw/zinc/97/24/65/903972465.db2.gz YPBUPMUHSCMOFR-QZTJIDSGSA-N 0 1 414.449 4.027 20 5 HIBDMN CN(Cc1ccc(Br)s1)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000506098129 914802262 /nfs/dbraw/zinc/80/22/62/914802262.db2.gz FGGCRCSHMSPIRH-UHFFFAOYSA-N 0 1 421.320 4.451 20 5 HIBDMN CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1N1CCOCC1 ZINC000506140657 914820499 /nfs/dbraw/zinc/82/04/99/914820499.db2.gz GORONRUHTFUAOG-UHFFFAOYSA-N 0 1 407.470 4.323 20 5 HIBDMN O=[N+]([O-])c1cccc([C@@H](NCc2ccccc2CN2CCOCC2)c2ccccc2)c1 ZINC000491422865 904588210 /nfs/dbraw/zinc/58/82/10/904588210.db2.gz JXPROEYJPWGSFH-VWLOTQADSA-N 0 1 417.509 4.306 20 5 HIBDMN O=C(NC[C@@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1)Nc1cccc(F)c1 ZINC000512427040 921155372 /nfs/dbraw/zinc/15/53/72/921155372.db2.gz KDVNNYPEWTTXQW-AFCDSYGPSA-N 0 1 412.465 4.281 20 5 HIBDMN CCOc1cc(C(=O)Nc2cccc3c2CN(CC(C)C)C3)c([N+](=O)[O-])cc1OC ZINC000494537132 905818857 /nfs/dbraw/zinc/81/88/57/905818857.db2.gz SIUADXLDMQLUIN-UHFFFAOYSA-N 0 1 413.474 4.226 20 5 HIBDMN CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@H](c1ccc(C(C)C)cc1)c1cccnc1 ZINC000496493617 906693218 /nfs/dbraw/zinc/69/32/18/906693218.db2.gz LZOSAFVOXHBBHX-OAQYLSRUSA-N 0 1 407.474 4.396 20 5 HIBDMN CC[C@@H](NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@@H](O)C(F)(F)F ZINC000498350027 907852001 /nfs/dbraw/zinc/85/20/01/907852001.db2.gz OVMVFHPYXDUSGV-RHSMWYFYSA-N 0 1 402.344 4.318 20 5 HIBDMN Cc1ccc(C(C)C)c(Oc2ccc(CN[C@@H](C)C(=O)NCCF)cc2[N+](=O)[O-])c1 ZINC000500418057 909845175 /nfs/dbraw/zinc/84/51/75/909845175.db2.gz XPBBDMWXQYURSN-INIZCTEOSA-N 0 1 417.481 4.383 20 5 HIBDMN O=C(CNCc1ccc(-c2ccccc2[N+](=O)[O-])s1)N[C@H]1CCOc2ccccc21 ZINC000500463747 909873115 /nfs/dbraw/zinc/87/31/15/909873115.db2.gz UVCTUPVNUKCJDL-SFHVURJKSA-N 0 1 423.494 4.053 20 5 HIBDMN Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)c1ccc(Cl)cc1Br ZINC000500465363 909874707 /nfs/dbraw/zinc/87/47/07/909874707.db2.gz ZWRUDHKVBWBART-UHFFFAOYSA-N 0 1 419.684 4.428 20 5 HIBDMN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(CN3CCSCC3)ccc2C)c1 ZINC000502714458 911747768 /nfs/dbraw/zinc/74/77/68/911747768.db2.gz 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COc1cc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)ccn1 ZINC000237262703 853993464 /nfs/dbraw/zinc/99/34/64/853993464.db2.gz CELOVQMKIKNODI-UHFFFAOYSA-N 0 1 418.247 4.311 20 5 HIBDMN COc1cc(CN[C@H]2CCCc3c2cnn3C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237415580 854027948 /nfs/dbraw/zinc/02/79/48/854027948.db2.gz VMXKLPHDBDFDON-FQEVSTJZSA-N 0 1 422.485 4.083 20 5 HIBDMN COc1ccc(-c2ccc(CNCc3ccc(-n4cccn4)cc3)o2)c([N+](=O)[O-])c1 ZINC000237420750 854028980 /nfs/dbraw/zinc/02/89/80/854028980.db2.gz SUGQNWSIQQFDNR-UHFFFAOYSA-N 0 1 404.426 4.339 20 5 HIBDMN COc1ccc(-c2ccc(CN[C@@H](C)c3ccc4c(c3)OCCO4)o2)c([N+](=O)[O-])c1 ZINC000237423593 854030082 /nfs/dbraw/zinc/03/00/82/854030082.db2.gz GJWZUSXZYAPWPK-AWEZNQCLSA-N 0 1 410.426 4.485 20 5 HIBDMN CN1CCN(C[C@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000301147332 854312140 /nfs/dbraw/zinc/31/21/40/854312140.db2.gz HNGPTLHVMNXVKK-SFHVURJKSA-N 0 1 408.424 4.014 20 5 HIBDMN CS(=O)(=O)c1cc([N+](=O)[O-])c(Nc2ccc3c(c2)ncn3-c2ccccc2)s1 ZINC000302085475 854528741 /nfs/dbraw/zinc/52/87/41/854528741.db2.gz NGFPSKFVCUUTRW-UHFFFAOYSA-N 0 1 414.468 4.142 20 5 HIBDMN Cc1ccc2nc([C@H]3CCCN(c4ncc(Br)cc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000302140837 854536514 /nfs/dbraw/zinc/53/65/14/854536514.db2.gz OUXVLOGDMXYWAS-LBPRGKRZSA-N 0 1 416.279 4.321 20 5 HIBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000303279743 854849312 /nfs/dbraw/zinc/84/93/12/854849312.db2.gz IIBLUOJRGALVOS-UHFFFAOYSA-N 0 1 401.894 4.199 20 5 HIBDMN C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000409656734 855586800 /nfs/dbraw/zinc/58/68/00/855586800.db2.gz KPKADGGPHWSUTR-JTQLQIEISA-N 0 1 405.336 4.141 20 5 HIBDMN O=C(Nc1cccc(-c2cn[nH]n2)c1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000429244546 857571280 /nfs/dbraw/zinc/57/12/80/857571280.db2.gz LKZCQGVKJWIUDY-UHFFFAOYSA-N 0 1 415.409 4.211 20 5 HIBDMN Cc1ccc([N+](=O)[O-])c(C)c1NS(=O)(=O)c1cccc(Cl)c1Br ZINC000430059378 858016476 /nfs/dbraw/zinc/01/64/76/858016476.db2.gz JJMVEYQEPSEJLE-UHFFFAOYSA-N 0 1 419.684 4.428 20 5 HIBDMN COc1cc([N+](=O)[O-])ccc1CN[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000430203819 858081525 /nfs/dbraw/zinc/08/15/25/858081525.db2.gz GQBFYGKWXXBAHO-OAHLLOKOSA-N 0 1 406.442 4.102 20 5 HIBDMN CN(C(=O)[C@@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1)c1ccccc1 ZINC000430867914 858347227 /nfs/dbraw/zinc/34/72/27/858347227.db2.gz UIONSVOEFVETJJ-QGZVFWFLSA-N 0 1 422.510 4.203 20 5 HIBDMN O=C(Nc1ccc(Sc2nncs2)c(Cl)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000432489885 859189532 /nfs/dbraw/zinc/18/95/32/859189532.db2.gz MXRNAZWWQISHKE-UHFFFAOYSA-N 0 1 408.848 4.209 20 5 HIBDMN CC1(C)C[C@H](NCCS(=O)(=O)c2ccc(Cl)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000433154573 859544047 /nfs/dbraw/zinc/54/40/47/859544047.db2.gz ZVBMKHALJOOHGY-SFHVURJKSA-N 0 1 408.907 4.034 20 5 HIBDMN CC(C)c1[nH]nc(C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)c1[N+](=O)[O-] ZINC000433834237 859921409 /nfs/dbraw/zinc/92/14/09/859921409.db2.gz BCNDULDJDHMJRH-UHFFFAOYSA-N 0 1 417.853 4.256 20 5 HIBDMN COc1ccc(-c2cc(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)n[nH]2)cc1OC ZINC000434189156 860179068 /nfs/dbraw/zinc/17/90/68/860179068.db2.gz AVURLMVGDPEXNN-UHFFFAOYSA-N 0 1 424.457 4.053 20 5 HIBDMN CC(C)c1[nH]nc(C(=O)N(Cc2cccc(Br)c2)C(C)C)c1[N+](=O)[O-] ZINC000434226469 860211920 /nfs/dbraw/zinc/21/19/20/860211920.db2.gz BXEOCGBTYWJURX-UHFFFAOYSA-N 0 1 409.284 4.255 20 5 HIBDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000435750138 861030715 /nfs/dbraw/zinc/03/07/15/861030715.db2.gz BDDQCSMXZZSVKD-UHFFFAOYSA-N 0 1 410.449 4.094 20 5 HIBDMN COc1cccc(C(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)c1[N+](=O)[O-] ZINC000435811971 861077333 /nfs/dbraw/zinc/07/73/33/861077333.db2.gz VIVAZLTWWTUAFB-OAHLLOKOSA-N 0 1 400.822 4.110 20 5 HIBDMN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000435836785 861097951 /nfs/dbraw/zinc/09/79/51/861097951.db2.gz RTZCBCCKPFXICB-XMMPIXPASA-N 0 1 411.505 4.248 20 5 HIBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000439441202 864832791 /nfs/dbraw/zinc/83/27/91/864832791.db2.gz RBWQBYVEFMQFQH-YVEFUNNKSA-N 0 1 405.380 4.480 20 5 HIBDMN CO[C@@H]1C[C@H](N[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1(C)C ZINC000439510080 864857850 /nfs/dbraw/zinc/85/78/50/864857850.db2.gz FWIDPTQBEAELLW-OTWHNJEPSA-N 0 1 417.893 4.331 20 5 HIBDMN COc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccc(SC)cc3)ns2)c1 ZINC000440463658 865767563 /nfs/dbraw/zinc/76/75/63/865767563.db2.gz DQRDKITUTGCTEW-UHFFFAOYSA-N 0 1 402.457 4.096 20 5 HIBDMN COc1ccc(C(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)cc1[N+](=O)[O-] ZINC000440748998 865887922 /nfs/dbraw/zinc/88/79/22/865887922.db2.gz PVWLANNYLVMLTP-HNNXBMFYSA-N 0 1 400.822 4.110 20 5 HIBDMN COc1cc(C(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000440753823 865891067 /nfs/dbraw/zinc/89/10/67/865891067.db2.gz KHWFVTZZVSZXEB-MRXNPFEDSA-N 0 1 400.822 4.110 20 5 HIBDMN C[C@H](OC[C@@H](O)CN(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(Cl)cc1 ZINC000441257030 866330407 /nfs/dbraw/zinc/33/04/07/866330407.db2.gz ANMSANZZOVISGC-YWZLYKJASA-N 0 1 404.894 4.351 20 5 HIBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(F)cc1OCCC(F)(F)F ZINC000443528489 868087177 /nfs/dbraw/zinc/08/71/77/868087177.db2.gz JDVWIDHDTCXMKI-UHFFFAOYSA-N 0 1 422.356 4.174 20 5 HIBDMN CN(CC1(O)CCCC1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000443867882 868399373 /nfs/dbraw/zinc/39/93/73/868399373.db2.gz KVKDMLCWMZYIKZ-LJQANCHMSA-N 0 1 417.893 4.165 20 5 HIBDMN C[C@@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)N(C)Cc1ccccc1 ZINC000444004970 868526925 /nfs/dbraw/zinc/52/69/25/868526925.db2.gz UFRBAKHHEYCMRL-INIZCTEOSA-N 0 1 417.484 4.071 20 5 HIBDMN O=C(Nc1nc(-c2ccccc2Cl)n[nH]1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444032552 868565964 /nfs/dbraw/zinc/56/59/64/868565964.db2.gz PEPQAGNFAXXJJC-UHFFFAOYSA-N 0 1 415.840 4.372 20 5 HIBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H](COCc2ccccc2)C1 ZINC000444177337 868649808 /nfs/dbraw/zinc/64/98/08/868649808.db2.gz UZYJEEGTGNGAMF-AEFFLSMTSA-N 0 1 408.458 4.245 20 5 HIBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(CO)(Cc2ccccc2)CC1 ZINC000444787450 869004041 /nfs/dbraw/zinc/00/40/41/869004041.db2.gz RFXQAVDHQZXPLM-QGZVFWFLSA-N 0 1 422.485 4.023 20 5 HIBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(CO)(Cc2ccccc2)CC1 ZINC000444787349 869004684 /nfs/dbraw/zinc/00/46/84/869004684.db2.gz RFXQAVDHQZXPLM-KRWDZBQOSA-N 0 1 422.485 4.023 20 5 HIBDMN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444828992 869037552 /nfs/dbraw/zinc/03/75/52/869037552.db2.gz PQXVDKQTSLGTQX-QHCPKHFHSA-N 0 1 411.505 4.248 20 5 HIBDMN O=[N+]([O-])c1ccc(Cc2noc(-c3ccc(O)c(Cl)c3)n2)c(Br)c1 ZINC000445232870 869290082 /nfs/dbraw/zinc/29/00/82/869290082.db2.gz HLXNYDPDWYGWIU-UHFFFAOYSA-N 0 1 410.611 4.357 20 5 HIBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Oc2cccc(F)c2F)nc1 ZINC000447272455 871160931 /nfs/dbraw/zinc/16/09/31/871160931.db2.gz WOASYPHIFPBLEB-UHFFFAOYSA-N 0 1 421.381 4.170 20 5 HIBDMN CN(C)[C@@H]1CCOc2c(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])cccc21 ZINC000447733577 871684283 /nfs/dbraw/zinc/68/42/83/871684283.db2.gz ZPSRFJSCEDFDBQ-OAHLLOKOSA-N 0 1 409.364 4.251 20 5 HIBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H](CC2CC2)c2ccc(Cl)cc2)cc1 ZINC000468843308 882886372 /nfs/dbraw/zinc/88/63/72/882886372.db2.gz GGAYGAVIPQHVFF-LJQANCHMSA-N 0 1 408.907 4.153 20 5 HIBDMN CCOc1ccc([C@H](C)NCc2ccc(C)nc2-n2cc(Cl)cn2)cc1[N+](=O)[O-] ZINC000468841748 882886379 /nfs/dbraw/zinc/88/63/79/882886379.db2.gz FUGFPLMVOMSHAS-AWEZNQCLSA-N 0 1 415.881 4.387 20 5 HIBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC1(c2ccccc2F)CC1 ZINC000462340067 875455769 /nfs/dbraw/zinc/45/57/69/875455769.db2.gz XCCKSIPQQMIMRE-UHFFFAOYSA-N 0 1 405.234 4.008 20 5 HIBDMN CC(C)Oc1ccc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 ZINC000462438445 875544371 /nfs/dbraw/zinc/54/43/71/875544371.db2.gz DFIMZFVZXBEGQO-UHFFFAOYSA-N 0 1 419.286 4.167 20 5 HIBDMN COc1ccc(C)cc1[C@@H](C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462471595 875578304 /nfs/dbraw/zinc/57/83/04/875578304.db2.gz VTDYQQHPCROZBL-SNVBAGLBSA-N 0 1 419.286 4.258 20 5 HIBDMN Cc1cccc(NC[C@@H]2CCN(c3ccc([N+](=O)[O-])c(OCc4ccccc4)n3)C2)n1 ZINC000462492911 875603812 /nfs/dbraw/zinc/60/38/12/875603812.db2.gz WDEFJRIAGWGHKM-IBGZPJMESA-N 0 1 419.485 4.211 20 5 HIBDMN O=C(NC[C@@H]1CCCCN1Cc1ccccc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463520743 876588384 /nfs/dbraw/zinc/58/83/84/876588384.db2.gz VYRAYHJQPFXXQN-KRWDZBQOSA-N 0 1 421.419 4.398 20 5 HIBDMN CCOc1c(Cl)cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1Cl ZINC000464539619 877754842 /nfs/dbraw/zinc/75/48/42/877754842.db2.gz WCJCHJPLCFCWGU-UHFFFAOYSA-N 0 1 421.258 4.110 20 5 HIBDMN Cc1nn(C(C)(C)C)cc1[C@H](C)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000464609175 877836079 /nfs/dbraw/zinc/83/60/79/877836079.db2.gz OZPPGEDEGCNKLT-AAEUAGOBSA-N 0 1 407.902 4.186 20 5 HIBDMN CCS[C@@H]1CC[C@@H](N(C)CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000464779240 878023762 /nfs/dbraw/zinc/02/37/62/878023762.db2.gz UIOROIHXWWPLNW-GDBMZVCRSA-N 0 1 420.560 4.263 20 5 HIBDMN Cc1nn(-c2ccccc2C)c(C)c1CN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000467191378 880918655 /nfs/dbraw/zinc/91/86/55/880918655.db2.gz MFUQSNFVGVDNMX-UHFFFAOYSA-N 0 1 421.501 4.166 20 5 HIBDMN CCC(C)(C)OCc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)c1C ZINC000469127482 883224067 /nfs/dbraw/zinc/22/40/67/883224067.db2.gz ZDCIAHVTQKGYFN-UHFFFAOYSA-N 0 1 422.503 4.418 20 5 HIBDMN Cc1ccc([C@H](C)N[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc1[N+](=O)[O-] ZINC000469283666 883380236 /nfs/dbraw/zinc/38/02/36/883380236.db2.gz YDDYRMUDJGMXMG-IFXJQAMLSA-N 0 1 403.429 4.023 20 5 HIBDMN CN(C)[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000469764120 883933331 /nfs/dbraw/zinc/93/33/31/883933331.db2.gz LGHZPYTWYCUXEC-SFHVURJKSA-N 0 1 423.435 4.310 20 5 HIBDMN C[C@@H](CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1cccc(C(F)(F)F)c1 ZINC000470209448 884529453 /nfs/dbraw/zinc/52/94/53/884529453.db2.gz IYUPNEPDNPOIAT-NSHDSACASA-N 0 1 406.364 4.414 20 5 HIBDMN CN(C)[C@@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)c1cccc(C(F)(F)F)c1 ZINC000470599574 885025546 /nfs/dbraw/zinc/02/55/46/885025546.db2.gz JXHSHHZTDYUQAZ-SFHVURJKSA-N 0 1 420.391 4.128 20 5 HIBDMN Cc1cc(Br)ccc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000471928215 886720186 /nfs/dbraw/zinc/72/01/86/886720186.db2.gz QUCROEVZLBBVEC-UHFFFAOYSA-N 0 1 422.260 4.015 20 5 HIBDMN Cc1c(NC(=O)CCN(C)[C@]2(c3ccccc3)CCCCC2=O)cccc1[N+](=O)[O-] ZINC000472636521 887501149 /nfs/dbraw/zinc/50/11/49/887501149.db2.gz PSGZMMDRHAIPFM-QHCPKHFHSA-N 0 1 409.486 4.202 20 5 HIBDMN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000504674355 913412330 /nfs/dbraw/zinc/41/23/30/913412330.db2.gz XQOMQAUAAJAKCH-INIZCTEOSA-N 0 1 412.837 4.402 20 5 HIBDMN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000504674355 913412344 /nfs/dbraw/zinc/41/23/44/913412344.db2.gz XQOMQAUAAJAKCH-INIZCTEOSA-N 0 1 412.837 4.402 20 5 HIBDMN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000475566754 890498313 /nfs/dbraw/zinc/49/83/13/890498313.db2.gz AICJXWTWZFHFLT-QGZVFWFLSA-N 0 1 420.473 4.408 20 5 HIBDMN C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1Cl ZINC000475983334 890898845 /nfs/dbraw/zinc/89/88/45/890898845.db2.gz DFZTYUHLTSJTLV-LBPRGKRZSA-N 0 1 417.849 4.221 20 5 HIBDMN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000476317842 891226334 /nfs/dbraw/zinc/22/63/34/891226334.db2.gz PEYBWHSZXKQQRA-UHFFFAOYSA-N 0 1 405.657 4.120 20 5 HIBDMN O=C(CNC1(c2ccc(Br)cc2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000477457685 892416759 /nfs/dbraw/zinc/41/67/59/892416759.db2.gz HYLCTJNLEJTAPA-UHFFFAOYSA-N 0 1 424.682 4.228 20 5 HIBDMN CCCN(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000504993591 913737789 /nfs/dbraw/zinc/73/77/89/913737789.db2.gz DQBIRIZSQUOJJX-HXUWFJFHSA-N 0 1 411.502 4.120 20 5 HIBDMN CCCN(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000504993591 913737802 /nfs/dbraw/zinc/73/78/02/913737802.db2.gz DQBIRIZSQUOJJX-HXUWFJFHSA-N 0 1 411.502 4.120 20 5 HIBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(CC(F)(F)F)cc2)c2cccnc21 ZINC000479120901 894390416 /nfs/dbraw/zinc/39/04/16/894390416.db2.gz WMUWTRSZPGWKKS-UHFFFAOYSA-N 0 1 411.361 4.049 20 5 HIBDMN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000505288008 913946996 /nfs/dbraw/zinc/94/69/96/913946996.db2.gz RMQCSJMWLUTSOM-UHFFFAOYSA-N 0 1 424.784 4.299 20 5 HIBDMN Cc1c(CNC(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)cccc1[N+](=O)[O-] ZINC000480057852 895404930 /nfs/dbraw/zinc/40/49/30/895404930.db2.gz HOCSVSIWNOHGQV-GOSISDBHSA-N 0 1 413.865 4.480 20 5 HIBDMN CNC(=O)C[C@@H](NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000481816636 897189941 /nfs/dbraw/zinc/18/99/41/897189941.db2.gz PPUHKYXKLJEMOF-HXUWFJFHSA-N 0 1 423.444 4.493 20 5 HIBDMN Cc1ccc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c2cccnc12 ZINC000481855616 897223229 /nfs/dbraw/zinc/22/32/29/897223229.db2.gz MFROKLAIOLWABU-UHFFFAOYSA-N 0 1 422.260 4.015 20 5 HIBDMN CC(=O)N[C@H](C)C1CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000482501248 898082316 /nfs/dbraw/zinc/08/23/16/898082316.db2.gz IZXVOZHAUHEYGS-OAHLLOKOSA-N 0 1 415.465 4.263 20 5 HIBDMN C[C@@H]1CCCCN1CC(=O)Nc1ccc(F)c(NCc2csc([N+](=O)[O-])c2)c1 ZINC000482661627 898265224 /nfs/dbraw/zinc/26/52/24/898265224.db2.gz IXWDANRZSATRRZ-CYBMUJFWSA-N 0 1 406.483 4.220 20 5 HIBDMN COc1ccccc1-c1nc(C2CCN(Cc3ccc([N+](=O)[O-])cc3C)CC2)no1 ZINC000483430297 899061347 /nfs/dbraw/zinc/06/13/47/899061347.db2.gz IIRBUZHPHGIUIU-UHFFFAOYSA-N 0 1 408.458 4.341 20 5 HIBDMN C[C@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000483710565 899368085 /nfs/dbraw/zinc/36/80/85/899368085.db2.gz IABGUPZXHXGJDQ-UGSOOPFHSA-N 0 1 405.401 4.042 20 5 HIBDMN COc1cc(C(=O)Nc2nc(-c3cccc4ccccc43)n[nH]2)cc([N+](=O)[O-])c1C ZINC000483837712 899517255 /nfs/dbraw/zinc/51/72/55/899517255.db2.gz XDLNCAUADQASBQ-UHFFFAOYSA-N 0 1 403.398 4.102 20 5 HIBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(OCc3cccc(F)c3)c(F)c2)cc1 ZINC000485100146 900409671 /nfs/dbraw/zinc/40/96/71/900409671.db2.gz DPLFYTHJTHEYBU-UHFFFAOYSA-N 0 1 420.393 4.253 20 5 HIBDMN CCCOc1ccc(Oc2ncccc2CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000505787649 914454093 /nfs/dbraw/zinc/45/40/93/914454093.db2.gz PHBRGWNBHFMKKU-UHFFFAOYSA-N 0 1 423.425 4.207 20 5 HIBDMN COc1ccc(Cl)cc1-c1n[nH]c(SCc2ccc([N+](=O)[O-])cc2OC)n1 ZINC000485369829 900667735 /nfs/dbraw/zinc/66/77/35/900667735.db2.gz JYABTPULANJERP-UHFFFAOYSA-N 0 1 406.851 4.343 20 5 HIBDMN O=C(Nc1cccc(-c2nnc[nH]2)c1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000485550969 900826030 /nfs/dbraw/zinc/82/60/30/900826030.db2.gz JHYGVOBAMVYVBL-UHFFFAOYSA-N 0 1 415.409 4.211 20 5 HIBDMN CC[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cc(F)cc(Br)c1 ZINC000485834234 901081565 /nfs/dbraw/zinc/08/15/65/901081565.db2.gz WKAKZBXYPNPMRU-QGZVFWFLSA-N 0 1 424.270 4.200 20 5 HIBDMN COc1ccc(NC(=O)CCN2CCC(c3c(F)cccc3F)CC2)c([N+](=O)[O-])c1 ZINC000485908951 901137635 /nfs/dbraw/zinc/13/76/35/901137635.db2.gz QJSXAFVMTSPQPS-UHFFFAOYSA-N 0 1 419.428 4.090 20 5 HIBDMN O=[N+]([O-])c1ccc(CN2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)c(F)c1 ZINC000486473079 901632565 /nfs/dbraw/zinc/63/25/65/901632565.db2.gz VAPYCRLWQJNLKK-VGOFRKELSA-N 0 1 408.433 4.338 20 5 HIBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)n[nH]1 ZINC000489227155 903275112 /nfs/dbraw/zinc/27/51/12/903275112.db2.gz XHRYUVXPOKDNMD-CHWSQXEVSA-N 0 1 405.524 4.466 20 5 HIBDMN CO[C@@H](C)c1nc(CN2CCCN([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)cs1 ZINC000490013327 903724931 /nfs/dbraw/zinc/72/49/31/903724931.db2.gz LTKBDVDEQJISOQ-SJORKVTESA-N 0 1 418.563 4.336 20 5 HIBDMN O=[N+]([O-])c1cccc([C@H](NCc2ccc(CN3CCOCC3)cc2)c2ccccc2)c1 ZINC000491424173 904590422 /nfs/dbraw/zinc/59/04/22/904590422.db2.gz SBUXEKUVCATWQX-RUZDIDTESA-N 0 1 417.509 4.306 20 5 HIBDMN O=C(NC[C@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1)Nc1cccc(F)c1 ZINC000512427041 921154792 /nfs/dbraw/zinc/15/47/92/921154792.db2.gz KDVNNYPEWTTXQW-CTEOGUNLSA-N 0 1 412.465 4.281 20 5 HIBDMN CC(C)C(=O)NC[C@H]1CCCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000512458324 921174266 /nfs/dbraw/zinc/17/42/66/921174266.db2.gz ZIIRWJFTMGMBPK-HXUWFJFHSA-N 0 1 424.545 4.347 20 5 HIBDMN COCCc1nc(C)c([C@@H](C)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)s1 ZINC000494481589 905763972 /nfs/dbraw/zinc/76/39/72/905763972.db2.gz HEMQNUNCQZDESO-SNVBAGLBSA-N 0 1 403.426 4.418 20 5 HIBDMN Cc1c(NC(=O)[C@H](C)N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000494493584 905778830 /nfs/dbraw/zinc/77/88/30/905778830.db2.gz JEUMAANEDADRDW-SOVGHPHASA-N 0 1 403.866 4.003 20 5 HIBDMN CC(=O)NCCc1ccc([C@H](C)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000494513572 905804615 /nfs/dbraw/zinc/80/46/15/905804615.db2.gz LSMQOJSCABPQJB-ZDUSSCGKSA-N 0 1 409.408 4.143 20 5 HIBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000495864957 906567056 /nfs/dbraw/zinc/56/70/56/906567056.db2.gz WXNQOBQSVHWIKT-HNNXBMFYSA-N 0 1 414.531 4.057 20 5 HIBDMN Cc1ccc(NC(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cc1[N+](=O)[O-] ZINC000512728502 921298077 /nfs/dbraw/zinc/29/80/77/921298077.db2.gz FAUDSRSARCHRTI-QGZVFWFLSA-N 0 1 422.407 4.318 20 5 HIBDMN Cc1cccc2nc(CNC(=O)CSc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c21 ZINC000498405579 907885167 /nfs/dbraw/zinc/88/51/67/907885167.db2.gz FJTKOMZVOJWSDW-UHFFFAOYSA-N 0 1 424.404 4.207 20 5 HIBDMN COc1cccc([C@@H]2[C@@H](NC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CCN2C2CC2)c1 ZINC000498561101 908021878 /nfs/dbraw/zinc/02/18/78/908021878.db2.gz QHRRPEZOPZWCDP-PZJWPPBQSA-N 0 1 410.474 4.011 20 5 HIBDMN O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cc(-c2cccc(Cl)c2)no1 ZINC000499289161 908662349 /nfs/dbraw/zinc/66/23/49/908662349.db2.gz PQDHTWUDLCCNQL-UHFFFAOYSA-N 0 1 415.789 4.317 20 5 HIBDMN COc1ccc(CN2CCC[C@H](n3cccn3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000513117238 921562957 /nfs/dbraw/zinc/56/29/57/921562957.db2.gz QVLUNLDBXOIZQF-NRFANRHFSA-N 0 1 422.485 4.216 20 5 HIBDMN COc1ccc(NC(=O)[C@@H](NCCc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000513219410 921634877 /nfs/dbraw/zinc/63/48/77/921634877.db2.gz RQUBETNBXLWGML-QFIPXVFZSA-N 0 1 405.454 4.116 20 5 HIBDMN CCCNC(=O)C1CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000506337841 914953716 /nfs/dbraw/zinc/95/37/16/914953716.db2.gz DDTWMZBVTKQULM-UHFFFAOYSA-N 0 1 415.465 4.264 20 5 HIBDMN COCCSc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000507449720 916218846 /nfs/dbraw/zinc/21/88/46/916218846.db2.gz IMERXZDUSTZVMS-HOTGVXAUSA-N 0 1 417.531 4.320 20 5 HIBDMN Cc1cc([N+](=O)[O-])ccc1Cc1nc(=O)c2sc(-c3ccc4c(c3)OCO4)cc2[nH]1 ZINC000507698003 916478627 /nfs/dbraw/zinc/47/86/27/916478627.db2.gz MOZNRHXVVNRJLH-UHFFFAOYSA-N 0 1 421.434 4.188 20 5 HIBDMN O=C(c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)N1CCN2CCC1CC2 ZINC000507882029 916720827 /nfs/dbraw/zinc/72/08/27/916720827.db2.gz IXYZJDCFSIOXAV-UHFFFAOYSA-N 0 1 417.918 4.320 20 5 HIBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000509413605 918076245 /nfs/dbraw/zinc/07/62/45/918076245.db2.gz AGJJWXBPSPSKMC-HXUWFJFHSA-N 0 1 414.506 4.335 20 5 HIBDMN O=C(Nc1cccc(-c2nnc[nH]2)c1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000509744775 918364231 /nfs/dbraw/zinc/36/42/31/918364231.db2.gz UCEQVKDSCRQJDE-UHFFFAOYSA-N 0 1 401.382 4.425 20 5 HIBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000511585552 920231917 /nfs/dbraw/zinc/23/19/17/920231917.db2.gz CJANJRVOVBCZQX-IBGZPJMESA-N 0 1 423.391 4.481 20 5 HIBDMN O=C(NC1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1)c1ccsc1 ZINC000511847414 920567835 /nfs/dbraw/zinc/56/78/35/920567835.db2.gz YEQASYIPOQRERF-UHFFFAOYSA-N 0 1 411.483 4.311 20 5 HIBDMN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCCC3(CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000515565462 923183072 /nfs/dbraw/zinc/18/30/72/923183072.db2.gz LKLJGNLSPYTLRL-JOCHJYFZSA-N 0 1 423.513 4.476 20 5 HIBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 ZINC000515631240 923231682 /nfs/dbraw/zinc/23/16/82/923231682.db2.gz OXRBQXDUCTXPFN-UHFFFAOYSA-N 0 1 403.391 4.030 20 5 HIBDMN O=[N+]([O-])c1ccc(OCCSc2nc(-c3ccccc3Br)n[nH]2)cc1 ZINC000520014034 928238239 /nfs/dbraw/zinc/23/82/39/928238239.db2.gz YZBWXRBRIXGDNC-UHFFFAOYSA-N 0 1 421.276 4.314 20 5 HIBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000520564586 928643104 /nfs/dbraw/zinc/64/31/04/928643104.db2.gz BKCDZIYSTISKOG-KRWDZBQOSA-N 0 1 413.522 4.080 20 5 HIBDMN Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000521144662 929021795 /nfs/dbraw/zinc/02/17/95/929021795.db2.gz XAJAGQBXCHMLOK-UHFFFAOYSA-N 0 1 408.439 4.247 20 5 HIBDMN O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000525114012 930044741 /nfs/dbraw/zinc/04/47/41/930044741.db2.gz IJWNYQZELRTLTA-HSZRJFAPSA-N 0 1 415.453 4.179 20 5 HIBDMN CC(C)(C)c1nc2ccc(NC(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)cc2[nH]1 ZINC000527249349 930619509 /nfs/dbraw/zinc/61/95/09/930619509.db2.gz PWXBPLYGBVJPRD-UHFFFAOYSA-N 0 1 405.414 4.275 20 5 HIBDMN C[C@H](C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000562395380 945069893 /nfs/dbraw/zinc/06/98/93/945069893.db2.gz YVNCEBBDPGZQAD-MGPUTAFESA-N 0 1 401.894 4.305 20 5 HIBDMN Cc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000530965439 930870108 /nfs/dbraw/zinc/87/01/08/930870108.db2.gz WMNLRGKECZMLTM-CHWSQXEVSA-N 0 1 411.380 4.480 20 5 HIBDMN Cc1ccc([C@@H](C)N[C@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)cc1[N+](=O)[O-] ZINC000530966082 930870368 /nfs/dbraw/zinc/87/03/68/930870368.db2.gz FWIFWWPJEVFAPG-ZIAGYGMSSA-N 0 1 407.873 4.393 20 5 HIBDMN Cc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccccc2Br)cc1[N+](=O)[O-] ZINC000530966381 930871085 /nfs/dbraw/zinc/87/10/85/930871085.db2.gz GVLPQFXKNJQXIO-CHWSQXEVSA-N 0 1 406.280 4.344 20 5 HIBDMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000531204493 930964281 /nfs/dbraw/zinc/96/42/81/930964281.db2.gz GEXADSDINOFHIU-DOTOQJQBSA-N 0 1 421.501 4.384 20 5 HIBDMN CCCCc1nc2ccc(NC(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)cc2[nH]1 ZINC000531528484 931094163 /nfs/dbraw/zinc/09/41/63/931094163.db2.gz OKJAYHYIXLSJMU-UHFFFAOYSA-N 0 1 405.414 4.320 20 5 HIBDMN Cc1c(CC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)cccc1[N+](=O)[O-] ZINC000532673233 931578883 /nfs/dbraw/zinc/57/88/83/931578883.db2.gz BPNNZSBSSOYWNR-FQEVSTJZSA-N 0 1 401.894 4.052 20 5 HIBDMN COc1ccc(C[C@@H](C)CN(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000534167473 932312413 /nfs/dbraw/zinc/31/24/13/932312413.db2.gz RYCVLBCZQMOFNU-CQSZACIVSA-N 0 1 405.882 4.006 20 5 HIBDMN CCC(=O)N1CCCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000534347310 932388901 /nfs/dbraw/zinc/38/89/01/932388901.db2.gz SJRMVSKGEZBKFG-UHFFFAOYSA-N 0 1 417.893 4.485 20 5 HIBDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)c4c[nH]c5cccc([N+](=O)[O-])c45)C3)[nH]c2c1 ZINC000534983764 932875472 /nfs/dbraw/zinc/87/54/72/932875472.db2.gz YPAVHCFWBKDACN-CQSZACIVSA-N 0 1 403.442 4.281 20 5 HIBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000535000045 932882324 /nfs/dbraw/zinc/88/23/24/932882324.db2.gz GGEVXAKKBYHAOE-KDOFPFPSSA-N 0 1 423.498 4.224 20 5 HIBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000535000045 932882332 /nfs/dbraw/zinc/88/23/32/932882332.db2.gz GGEVXAKKBYHAOE-KDOFPFPSSA-N 0 1 423.498 4.224 20 5 HIBDMN CCOc1ccc(C(=O)Nc2cc(Cl)cc(Br)c2O)cc1[N+](=O)[O-] ZINC000535415214 933124166 /nfs/dbraw/zinc/12/41/66/933124166.db2.gz TZZZHZYUJPBABH-UHFFFAOYSA-N 0 1 415.627 4.367 20 5 HIBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535682582 933335552 /nfs/dbraw/zinc/33/55/52/933335552.db2.gz VTQKRQKLIKRKCQ-LIRRHRJNSA-N 0 1 405.857 4.119 20 5 HIBDMN C[C@@H](C(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1)c1cccc([N+](=O)[O-])c1 ZINC000562403355 945070966 /nfs/dbraw/zinc/07/09/66/945070966.db2.gz GGBSJEZSRXADNH-CRAIPNDOSA-N 0 1 411.506 4.270 20 5 HIBDMN 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DTPPSFVIDFMISX-CABCVRRESA-N 0 1 402.520 4.456 20 5 HIBDMN Cc1nn(C)c(NC[C@@H](c2ccc(Cl)cc2)N(C)CCC(F)(F)F)c1[N+](=O)[O-] ZINC000561345093 944557641 /nfs/dbraw/zinc/55/76/41/944557641.db2.gz KKDPTPPREAUVFF-AWEZNQCLSA-N 0 1 419.835 4.328 20 5 HIBDMN CSCc1cccc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000561529154 944656394 /nfs/dbraw/zinc/65/63/94/944656394.db2.gz XSLIXFGQCGCFSY-UHFFFAOYSA-N 0 1 417.306 4.021 20 5 HIBDMN COc1ccccc1[C@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)N1CCCCC1 ZINC000562299547 945055427 /nfs/dbraw/zinc/05/54/27/945055427.db2.gz HFRQOUJCFTTZNO-UWJYYQICSA-N 0 1 411.502 4.050 20 5 HIBDMN CCOc1cc(NC(=O)c2ncsc2C(F)(F)F)c([N+](=O)[O-])cc1OCC ZINC000565096436 945774768 /nfs/dbraw/zinc/77/47/68/945774768.db2.gz PYGBTSGIWJHGSR-UHFFFAOYSA-N 0 1 405.354 4.120 20 5 HIBDMN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCN(C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000565334386 945814566 /nfs/dbraw/zinc/81/45/66/945814566.db2.gz MAZOIJULIKUPPG-IFMALSPDSA-N 0 1 424.501 4.265 20 5 HIBDMN O=[N+]([O-])c1cc(I)cc(CNCc2ccc(C(F)F)cc2)c1 ZINC000565393257 945824378 /nfs/dbraw/zinc/82/43/78/945824378.db2.gz XCMOSGHPAHINJY-UHFFFAOYSA-N 0 1 418.181 4.427 20 5 HIBDMN COc1cc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCC(F)F ZINC000569959330 947053076 /nfs/dbraw/zinc/05/30/76/947053076.db2.gz GTGIGLFIGZDTSR-UHFFFAOYSA-N 0 1 410.417 4.281 20 5 HIBDMN C[C@H](C(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000575967009 948804292 /nfs/dbraw/zinc/80/42/92/948804292.db2.gz NRHZUUXQKYJOOO-KBXCAEBGSA-N 0 1 421.419 4.108 20 5 HIBDMN CCOC(C)(C)CN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000436005974 861294364 /nfs/dbraw/zinc/29/43/64/861294364.db2.gz MLOPLASNIJWOOV-SFHVURJKSA-N 0 1 405.882 4.333 20 5 HIBDMN Cc1c(NC(=O)[C@H](C)N[C@@H](C)c2ccc(Br)s2)cccc1[N+](=O)[O-] ZINC000436008662 861299108 /nfs/dbraw/zinc/29/91/08/861299108.db2.gz FWIZHVSCEKTYMV-QWRGUYRKSA-N 0 1 412.309 4.405 20 5 HIBDMN CCOc1ccc2nc(SCC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])[nH]c2c1 ZINC000005691554 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MGUHJDAOFMVEQT-NSHDSACASA-N 0 1 407.471 4.094 20 5 HIBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCc3sccc3[C@@H]2c2cccs2)c1 ZINC000025697834 847021632 /nfs/dbraw/zinc/02/16/32/847021632.db2.gz PVSQXTBZSGCIKQ-MGPUTAFESA-N 0 1 416.524 4.105 20 5 HIBDMN COc1cc([C@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC(C)C ZINC000030454874 847717257 /nfs/dbraw/zinc/71/72/57/847717257.db2.gz ZISJZBDVUHLHOS-GJZGRUSLSA-N 0 1 401.463 4.068 20 5 HIBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000043149632 848391008 /nfs/dbraw/zinc/39/10/08/848391008.db2.gz MRIMUVRHAKUVPW-UHFFFAOYSA-N 0 1 402.882 4.343 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)c1ccccc1OC(C)C ZINC000055152136 849978161 /nfs/dbraw/zinc/97/81/61/849978161.db2.gz KVJHWORSORDGQR-CABCVRRESA-N 0 1 401.463 4.068 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](C)c1cccc(OC(C)C)c1 ZINC000056157024 850261757 /nfs/dbraw/zinc/26/17/57/850261757.db2.gz OJVOBGQOHNUDLD-HUUCEWRRSA-N 0 1 401.463 4.068 20 5 HIBDMN C[N@H+](Cc1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000057530655 850660284 /nfs/dbraw/zinc/66/02/84/850660284.db2.gz OEZUIJWIYAOLNR-UHFFFAOYSA-N 0 1 403.504 4.160 20 5 HIBDMN C[N@@H+](Cc1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000057530655 850660295 /nfs/dbraw/zinc/66/02/95/850660295.db2.gz OEZUIJWIYAOLNR-UHFFFAOYSA-N 0 1 403.504 4.160 20 5 HIBDMN O=C(CNc1ccccc1[N+](=O)[O-])Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1 ZINC000058271716 850790269 /nfs/dbraw/zinc/79/02/69/850790269.db2.gz SSNDMMSKBRMQNG-UHFFFAOYSA-N 0 1 419.416 4.252 20 5 HIBDMN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)c1 ZINC000058271710 850790580 /nfs/dbraw/zinc/79/05/80/850790580.db2.gz BNIWCAZXQIXSMS-UHFFFAOYSA-N 0 1 420.400 4.462 20 5 HIBDMN CN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000437013484 862191499 /nfs/dbraw/zinc/19/14/99/862191499.db2.gz QRXLTHLEIHLENG-SFHVURJKSA-N 0 1 421.419 4.350 20 5 HIBDMN COc1ccc(C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)cc1[N+](=O)[O-] ZINC000059422225 851006633 /nfs/dbraw/zinc/00/66/33/851006633.db2.gz UHQPELJLWBFULR-UHFFFAOYSA-N 0 1 420.400 4.462 20 5 HIBDMN CCN(CC)[C@H](CNC(=O)c1cc(OC)ccc1[N+](=O)[O-])c1ccccc1Cl ZINC000060063773 851036697 /nfs/dbraw/zinc/03/66/97/851036697.db2.gz GYCWWJVNWQMQIB-LJQANCHMSA-N 0 1 405.882 4.070 20 5 HIBDMN Cc1ccc(CNC(=O)c2cccc(CNCc3ccc(C)c([N+](=O)[O-])c3)c2)cc1 ZINC000060979099 851265671 /nfs/dbraw/zinc/26/56/71/851265671.db2.gz YUBVWCWOTMCKKC-UHFFFAOYSA-N 0 1 403.482 4.431 20 5 HIBDMN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(CN3CCSCC3)cc2C)c1 ZINC000072058249 852489665 /nfs/dbraw/zinc/48/96/65/852489665.db2.gz KONIRZNFLBAMOI-UHFFFAOYSA-N 0 1 417.556 4.426 20 5 HIBDMN COc1cc([C@H](C)N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1OC(C)C ZINC000106276034 852766754 /nfs/dbraw/zinc/76/67/54/852766754.db2.gz KXPCOAFGIRWYDN-GJZGRUSLSA-N 0 1 401.463 4.068 20 5 HIBDMN COc1ccc2[nH]cc(C3CCN([C@@H](C)C(=O)Nc4cccc([N+](=O)[O-])c4)CC3)c2c1 ZINC000108971736 852901569 /nfs/dbraw/zinc/90/15/69/852901569.db2.gz SFBHUAXELLNDTA-HNNXBMFYSA-N 0 1 422.485 4.291 20 5 HIBDMN CN(CCc1ccc(Br)cc1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000112563038 853232720 /nfs/dbraw/zinc/23/27/20/853232720.db2.gz LQNSYPVJEUEFMB-UHFFFAOYSA-N 0 1 417.263 4.082 20 5 HIBDMN Cc1cc(NC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] ZINC000195661392 853743450 /nfs/dbraw/zinc/74/34/50/853743450.db2.gz NYDJYFPAIHFTRA-UHFFFAOYSA-N 0 1 402.882 4.343 20 5 HIBDMN CC[C@@H](C)NC(=O)[C@H](C)NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000236888625 853932807 /nfs/dbraw/zinc/93/28/07/853932807.db2.gz DJWBQAUDOMRDFI-KGLIPLIRSA-N 0 1 405.882 4.433 20 5 HIBDMN COc1ccc(-c2ccc(CN[C@H](C)c3ccc(-n4cncn4)cc3)o2)c([N+](=O)[O-])c1 ZINC000237425916 854030513 /nfs/dbraw/zinc/03/05/13/854030513.db2.gz OKRYZRNIZTYOFM-OAHLLOKOSA-N 0 1 419.441 4.295 20 5 HIBDMN O=[N+]([O-])c1ccc(-c2ccc(CNCc3cccnc3-n3cccn3)o2)c(Cl)c1 ZINC000237818775 854103315 /nfs/dbraw/zinc/10/33/15/854103315.db2.gz OSWSIOVJKVEJRI-UHFFFAOYSA-N 0 1 409.833 4.379 20 5 HIBDMN O=[N+]([O-])c1cc(CNCc2cccnc2-n2cccn2)ccc1Oc1ccc(F)cc1 ZINC000237881470 854113773 /nfs/dbraw/zinc/11/37/73/854113773.db2.gz KQYOORBFRJTCDU-UHFFFAOYSA-N 0 1 419.416 4.397 20 5 HIBDMN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN[C@H](CO)c2ccccc2)cc1 ZINC000237957669 854125190 /nfs/dbraw/zinc/12/51/90/854125190.db2.gz WMNGBAPDBPKLLM-HSZRJFAPSA-N 0 1 414.465 4.271 20 5 HIBDMN O=[N+]([O-])c1ccc(N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)cc1OC(F)F ZINC000301971623 854507441 /nfs/dbraw/zinc/50/74/41/854507441.db2.gz SNBFBEOQASKOIX-HNNXBMFYSA-N 0 1 401.373 4.323 20 5 HIBDMN O=[N+]([O-])c1ccc(N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)cc1OC(F)F ZINC000301971623 854507443 /nfs/dbraw/zinc/50/74/43/854507443.db2.gz SNBFBEOQASKOIX-HNNXBMFYSA-N 0 1 401.373 4.323 20 5 HIBDMN Cc1cc(N2CCC[C@@H](CNC(=O)c3ccccc3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302104319 854531136 /nfs/dbraw/zinc/53/11/36/854531136.db2.gz WNFLVUFQZHNERW-KRWDZBQOSA-N 0 1 404.470 4.098 20 5 HIBDMN Cc1cc(C(=O)NC2CCN(c3cc(C)nc4ccc([N+](=O)[O-])cc43)CC2)c(C)o1 ZINC000302178512 854544353 /nfs/dbraw/zinc/54/43/53/854544353.db2.gz NITOCCFWBMOQPO-UHFFFAOYSA-N 0 1 408.458 4.060 20 5 HIBDMN Cc1cc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302485726 854575359 /nfs/dbraw/zinc/57/53/59/854575359.db2.gz IEGBSNNVSRIFID-UHFFFAOYSA-N 0 1 400.479 4.335 20 5 HIBDMN COc1ccc(-c2n[nH]c(Sc3ccccc3[N+](=O)[O-])n2)cc1Br ZINC000302668717 854600855 /nfs/dbraw/zinc/60/08/55/854600855.db2.gz JZAPZUGEZZIDKX-UHFFFAOYSA-N 0 1 407.249 4.302 20 5 HIBDMN Cc1ccc(C(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1[N+](=O)[O-] ZINC000302902723 854673062 /nfs/dbraw/zinc/67/30/62/854673062.db2.gz XRPAXEFBIQDREJ-UHFFFAOYSA-N 0 1 421.419 4.270 20 5 HIBDMN Cc1ccc(CN2CCSCC2)cc1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000303494368 854983615 /nfs/dbraw/zinc/98/36/15/854983615.db2.gz QJLYWYUMVJUYJB-UHFFFAOYSA-N 0 1 405.907 4.358 20 5 HIBDMN COCC1(CN[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCC1 ZINC000409844659 855683599 /nfs/dbraw/zinc/68/35/99/855683599.db2.gz NCOWZICJDTUILU-LJQANCHMSA-N 0 1 417.893 4.334 20 5 HIBDMN Cc1nc(C[NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)ccc1C(=O)[O-] ZINC000426657030 856397677 /nfs/dbraw/zinc/39/76/77/856397677.db2.gz LBLCQTBXVBGPPO-UHFFFAOYSA-N 0 1 406.442 4.054 20 5 HIBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000437465979 862827933 /nfs/dbraw/zinc/82/79/33/862827933.db2.gz HRNURRAGCWIWSL-ROUUACIJSA-N 0 1 413.543 4.198 20 5 HIBDMN O=C(N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000437469749 862831825 /nfs/dbraw/zinc/83/18/25/862831825.db2.gz RRFSIYVCZJRHJN-AULYBMBSSA-N 0 1 404.348 4.166 20 5 HIBDMN CC(C)n1c2ccccc2nc1[C@@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000428020886 857044585 /nfs/dbraw/zinc/04/45/85/857044585.db2.gz GTDOWCDOBDBGOV-OAHLLOKOSA-N 0 1 408.458 4.251 20 5 HIBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000430194919 858076316 /nfs/dbraw/zinc/07/63/16/858076316.db2.gz LJNQYNYIYDGTQG-INIZCTEOSA-N 0 1 412.421 4.172 20 5 HIBDMN CCCN(C(=O)c1cccs1)C1CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000431160300 858478632 /nfs/dbraw/zinc/47/86/32/858478632.db2.gz UIUAXWWKPKQVBV-UHFFFAOYSA-N 0 1 401.532 4.482 20 5 HIBDMN CC[C@H](CS(=O)(=O)c1ccccc1)N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433297986 859624133 /nfs/dbraw/zinc/62/41/33/859624133.db2.gz MYRDXSXJWIVCGO-QRWLVFNGSA-N 0 1 402.516 4.159 20 5 HIBDMN CCN(Cc1cc(Br)ccc1F)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000433686865 859837922 /nfs/dbraw/zinc/83/79/22/859837922.db2.gz VUHFYWFFSHOBIO-UHFFFAOYSA-N 0 1 413.247 4.005 20 5 HIBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H](c3nc4ccccc4n3C(C)C)C2)c1[N+](=O)[O-] ZINC000433771861 859886598 /nfs/dbraw/zinc/88/65/98/859886598.db2.gz VTOOZMPYTTTZHR-OAHLLOKOSA-N 0 1 424.505 4.392 20 5 HIBDMN C[C@H](NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])c1nnc[nH]1 ZINC000467754833 881568752 /nfs/dbraw/zinc/56/87/52/881568752.db2.gz XAZKLNZBRPBUEL-JTQLQIEISA-N 0 1 403.851 4.009 20 5 HIBDMN CCc1ccc([C@H](CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)N(C)C)cc1 ZINC000435836145 861098283 /nfs/dbraw/zinc/09/82/83/861098283.db2.gz OXWZONYTOLPZOC-DEOSSOPVSA-N 0 1 413.521 4.276 20 5 HIBDMN CSc1ccccc1NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000438793452 864286064 /nfs/dbraw/zinc/28/60/64/864286064.db2.gz KHRSLFMEVJMXLU-UHFFFAOYSA-N 0 1 417.306 4.188 20 5 HIBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)CCCOCc1ccccc1 ZINC000439479258 864846509 /nfs/dbraw/zinc/84/65/09/864846509.db2.gz RISPJRPEQGTUGC-HNNXBMFYSA-N 0 1 405.882 4.114 20 5 HIBDMN CSc1ccccc1[C@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000440650832 865856986 /nfs/dbraw/zinc/85/69/86/865856986.db2.gz WAHJRUSLASAGCR-NSHDSACASA-N 0 1 424.320 4.369 20 5 HIBDMN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000440743408 865885115 /nfs/dbraw/zinc/88/51/15/865885115.db2.gz AJLJAKUMSIDPCO-SFHVURJKSA-N 0 1 413.865 4.290 20 5 HIBDMN COc1cc(C(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000440753820 865891194 /nfs/dbraw/zinc/89/11/94/865891194.db2.gz KHWFVTZZVSZXEB-INIZCTEOSA-N 0 1 400.822 4.110 20 5 HIBDMN CO[C@H](C)c1nc(CN2CCCN([C@H](C)c3ccccc3[N+](=O)[O-])CC2)cs1 ZINC000468250672 882155068 /nfs/dbraw/zinc/15/50/68/882155068.db2.gz LPSPEKKGMCYRNP-HZPDHXFCSA-N 0 1 404.536 4.028 20 5 HIBDMN COc1ccccc1[C@H](CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)N1CCCC1 ZINC000443961718 868495009 /nfs/dbraw/zinc/49/50/09/868495009.db2.gz JYVRHLHSSHFAAS-IBGZPJMESA-N 0 1 412.490 4.179 20 5 HIBDMN C[C@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)N(C)Cc1ccccc1 ZINC000444004971 868526661 /nfs/dbraw/zinc/52/66/61/868526661.db2.gz UFRBAKHHEYCMRL-MRXNPFEDSA-N 0 1 417.484 4.071 20 5 HIBDMN CCc1[nH]nc(C(=O)N2CC[C@H](c3ccccc3)[C@H]2c2cccc(OC)c2)c1[N+](=O)[O-] ZINC000444367509 868794195 /nfs/dbraw/zinc/79/41/95/868794195.db2.gz INRCMACOTQFHFF-WIYYLYMNSA-N 0 1 420.469 4.260 20 5 HIBDMN O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000445831805 869850529 /nfs/dbraw/zinc/85/05/29/869850529.db2.gz HKVPPYIYQSKJLH-HXUWFJFHSA-N 0 1 401.894 4.134 20 5 HIBDMN COc1ccc(NC(=O)c2ccc(NCc3cc(OC)c(O)c([N+](=O)[O-])c3)cc2)cc1 ZINC000446902317 870821525 /nfs/dbraw/zinc/82/15/25/870821525.db2.gz LATXXTPXEDTRFH-UHFFFAOYSA-N 0 1 423.425 4.182 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1CNC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000447431377 871334945 /nfs/dbraw/zinc/33/49/45/871334945.db2.gz MILCJGYUMGTXPK-UHFFFAOYSA-N 0 1 410.392 4.418 20 5 HIBDMN CCCc1[nH]nc(C(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000448452583 872399657 /nfs/dbraw/zinc/39/96/57/872399657.db2.gz PBJZFJWFRVPSAY-UHFFFAOYSA-N 0 1 408.911 4.321 20 5 HIBDMN C[C@H](c1ccsc1)N1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000462457403 875563272 /nfs/dbraw/zinc/56/32/72/875563272.db2.gz ZLNDFMVYYOYJNC-MRXNPFEDSA-N 0 1 412.515 4.233 20 5 HIBDMN CC(C)c1[nH]nc(-c2nc(-c3ccc4[nH]c(-c5cscn5)nc4c3)no2)c1[N+](=O)[O-] ZINC000463179497 876236022 /nfs/dbraw/zinc/23/60/22/876236022.db2.gz DODGCQXONUJBJO-UHFFFAOYSA-N 0 1 422.430 4.158 20 5 HIBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463441110 876498937 /nfs/dbraw/zinc/49/89/37/876498937.db2.gz HXPFRIKWYZJFHJ-GAJHUEQPSA-N 0 1 422.485 4.023 20 5 HIBDMN O=[N+]([O-])c1ccc(-c2nc(CN3CCC[C@H](c4ncc5n4CCCC5)C3)co2)cc1 ZINC000503430433 912429384 /nfs/dbraw/zinc/42/93/84/912429384.db2.gz CSRVLBBPZIATKF-KRWDZBQOSA-N 0 1 407.474 4.162 20 5 HIBDMN CC(C)c1ccc(CNCc2cc(Cl)ccc2N2CCOCC2)cc1[N+](=O)[O-] ZINC000466361463 880118604 /nfs/dbraw/zinc/11/86/04/880118604.db2.gz AGTBAMFPSUJQGV-UHFFFAOYSA-N 0 1 403.910 4.498 20 5 HIBDMN Cc1[nH]ncc1CNC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC000466634671 880408063 /nfs/dbraw/zinc/40/80/63/880408063.db2.gz RTLIRRGIIQCOOC-UHFFFAOYSA-N 0 1 402.863 4.361 20 5 HIBDMN CCOC(=O)c1ccnc(N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)c1[N+](=O)[O-] ZINC000466825396 880596233 /nfs/dbraw/zinc/59/62/33/880596233.db2.gz WKRQCYMAPCHXII-HNNXBMFYSA-N 0 1 415.837 4.038 20 5 HIBDMN C[C@@H](N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000467001596 880810369 /nfs/dbraw/zinc/81/03/69/880810369.db2.gz IPGMVNFHXGQQQP-CZUORRHYSA-N 0 1 407.392 4.065 20 5 HIBDMN Cc1ccc2nc(CNc3c4cc(Br)ccc4ncc3[N+](=O)[O-])[nH]c2c1 ZINC000467017758 880820528 /nfs/dbraw/zinc/82/05/28/880820528.db2.gz YOGMJAHTMWSEPY-UHFFFAOYSA-N 0 1 412.247 4.124 20 5 HIBDMN Cc1c(NC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)cccc1[N+](=O)[O-] ZINC000469467376 883688274 /nfs/dbraw/zinc/68/82/74/883688274.db2.gz VKBRLCONAGCRBN-QGZVFWFLSA-N 0 1 410.396 4.346 20 5 HIBDMN C[C@@H](c1ccccc1Br)N(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000503670904 912778040 /nfs/dbraw/zinc/77/80/40/912778040.db2.gz MALGYMLGKXAITC-JTQLQIEISA-N 0 1 403.236 4.067 20 5 HIBDMN CCOc1ccc([C@H](C)N[C@@H](Cn2ccccc2=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000503921406 912866372 /nfs/dbraw/zinc/86/63/72/912866372.db2.gz UXIPBKOBDAZOLE-PXNSSMCTSA-N 0 1 407.470 4.247 20 5 HIBDMN CN(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccc(C(F)(F)F)c1 ZINC000470603183 885029709 /nfs/dbraw/zinc/02/97/09/885029709.db2.gz WINBVYWYDWPTOH-INIZCTEOSA-N 0 1 415.799 4.300 20 5 HIBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470665965 885093251 /nfs/dbraw/zinc/09/32/51/885093251.db2.gz GYBVOSAGQRLPEL-FXAWDEMLSA-N 0 1 413.543 4.198 20 5 HIBDMN COCCSc1ccc([C@H](C)NCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000504030407 912931488 /nfs/dbraw/zinc/93/14/88/912931488.db2.gz JUCQGUJIPYDWKP-AWEZNQCLSA-N 0 1 404.488 4.051 20 5 HIBDMN COc1cccc([C@H]2[C@H](NC(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)CCN2C2CC2)c1 ZINC000471937584 886734652 /nfs/dbraw/zinc/73/46/52/886734652.db2.gz SUFHXOLWVWXCIK-KNQAVFIVSA-N 0 1 424.501 4.320 20 5 HIBDMN Cc1cc(NC(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)ccc1[N+](=O)[O-] ZINC000473791663 888606639 /nfs/dbraw/zinc/60/66/39/888606639.db2.gz YUUIYMKBHFTQSB-INIZCTEOSA-N 0 1 412.494 4.481 20 5 HIBDMN NC(=O)c1ccc(CN2CCC(c3ccccc3C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000474222737 889062151 /nfs/dbraw/zinc/06/21/51/889062151.db2.gz GRXBLZLDWLVHFJ-UHFFFAOYSA-N 0 1 407.392 4.092 20 5 HIBDMN COC(=O)COc1ccc(CN[C@H](c2ccc(F)cc2F)C(C)(C)C)cc1[N+](=O)[O-] ZINC000474355806 889233066 /nfs/dbraw/zinc/23/30/66/889233066.db2.gz SWPIDNUXQFWJMV-HXUWFJFHSA-N 0 1 422.428 4.302 20 5 HIBDMN COC(=O)COc1ccc(CN[C@@H](C)c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] ZINC000474355847 889233934 /nfs/dbraw/zinc/23/39/34/889233934.db2.gz QQFPKWHOSUEZAK-NSHDSACASA-N 0 1 413.257 4.304 20 5 HIBDMN COC(=O)COc1ccc(CN[C@H](c2ccccc2F)C2CCCC2)cc1[N+](=O)[O-] ZINC000474364117 889242410 /nfs/dbraw/zinc/24/24/10/889242410.db2.gz TVUUEQAIXONYRZ-QFIPXVFZSA-N 0 1 416.449 4.307 20 5 HIBDMN Cc1ccc(Sc2ccc(CNCC3(S(C)(=O)=O)CCC3)cc2[N+](=O)[O-])cc1 ZINC000475428650 890348358 /nfs/dbraw/zinc/34/83/58/890348358.db2.gz FWPGBLJZBPKBNE-UHFFFAOYSA-N 0 1 420.556 4.111 20 5 HIBDMN COc1cc(CN2CCC(n3c(C)nc4ccccc43)CC2)c([N+](=O)[O-])cc1OC ZINC000475499961 890410274 /nfs/dbraw/zinc/41/02/74/890410274.db2.gz BUPJGAGZQVEPMC-UHFFFAOYSA-N 0 1 410.474 4.107 20 5 HIBDMN CCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC000476133919 891056995 /nfs/dbraw/zinc/05/69/95/891056995.db2.gz DZLMVUDQLOWJHB-HXUWFJFHSA-N 0 1 413.380 4.225 20 5 HIBDMN CC(C)OCCN1CCC(Nc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000476203170 891133854 /nfs/dbraw/zinc/13/38/54/891133854.db2.gz TXGUVCFCWVSQOG-UHFFFAOYSA-N 0 1 411.502 4.127 20 5 HIBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000477015826 891942307 /nfs/dbraw/zinc/94/23/07/891942307.db2.gz YPCNYNJVMUBHLT-ZIAGYGMSSA-N 0 1 405.882 4.319 20 5 HIBDMN O=C(Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000477017408 891944651 /nfs/dbraw/zinc/94/46/51/891944651.db2.gz GAJRYUSDBAYTBG-UHFFFAOYSA-N 0 1 411.801 4.458 20 5 HIBDMN O=[N+]([O-])c1ccc(CNC2(c3ccc(Br)cc3)CCOCC2)c(F)c1 ZINC000478237897 893401540 /nfs/dbraw/zinc/40/15/40/893401540.db2.gz VYOCFDTXDZVFES-UHFFFAOYSA-N 0 1 409.255 4.292 20 5 HIBDMN O=C1[C@@H](NC/C=C\c2ccccc2[N+](=O)[O-])CCN1c1ccccc1C(F)(F)F ZINC000479418659 894729061 /nfs/dbraw/zinc/72/90/61/894729061.db2.gz KHVCUGPLNAASND-WRLNGNIRSA-N 0 1 405.376 4.022 20 5 HIBDMN O=C(NCc1ccc(COCc2ccccc2)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000480212425 895616444 /nfs/dbraw/zinc/61/64/44/895616444.db2.gz IBQCOOSCQBIGFX-UHFFFAOYSA-N 0 1 416.437 4.118 20 5 HIBDMN C[C@H]1CN(Cc2ccccc2CNc2ccc3ncccc3c2[N+](=O)[O-])C[C@H](C)O1 ZINC000480431826 895824936 /nfs/dbraw/zinc/82/49/36/895824936.db2.gz LMHZUBZTTBNGCP-IRXDYDNUSA-N 0 1 406.486 4.364 20 5 HIBDMN Cc1c(CNCc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)cccc1[N+](=O)[O-] ZINC000480446962 895835594 /nfs/dbraw/zinc/83/55/94/895835594.db2.gz RTYKHOWLBKZQBI-UHFFFAOYSA-N 0 1 404.392 4.457 20 5 HIBDMN CCOCCOc1ccc(Br)cc1CNCc1cccc([N+](=O)[O-])c1C ZINC000480481920 895859274 /nfs/dbraw/zinc/85/92/74/895859274.db2.gz KVUQWRIJMXHXHP-UHFFFAOYSA-N 0 1 423.307 4.371 20 5 HIBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000481807105 897184376 /nfs/dbraw/zinc/18/43/76/897184376.db2.gz NVSVECPWNBURFS-UHFFFAOYSA-N 0 1 413.543 4.274 20 5 HIBDMN Cc1c([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000482534671 898121111 /nfs/dbraw/zinc/12/11/11/898121111.db2.gz JUFCDYBTENLLPE-IAGOWNOFSA-N 0 1 400.498 4.206 20 5 HIBDMN CO[C@]1(C)CCCN([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000483037885 898705461 /nfs/dbraw/zinc/70/54/61/898705461.db2.gz FGJJLQKKJDBDPA-JTHBVZDNSA-N 0 1 411.502 4.474 20 5 HIBDMN C[C@@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000483710563 899367526 /nfs/dbraw/zinc/36/75/26/899367526.db2.gz IABGUPZXHXGJDQ-FZKQIMNGSA-N 0 1 405.401 4.042 20 5 HIBDMN CCc1ccc([C@@H]2CN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CCO2)cc1 ZINC000484566666 900037778 /nfs/dbraw/zinc/03/77/78/900037778.db2.gz HHOREBRCDMUZMY-QFIPXVFZSA-N 0 1 407.470 4.428 20 5 HIBDMN COc1ccc(-c2n[nH]c(Sc3ccc4ncccc4c3[N+](=O)[O-])n2)c(OC)c1 ZINC000484902129 900282631 /nfs/dbraw/zinc/28/26/31/900282631.db2.gz CNLDPZQJWJACFS-UHFFFAOYSA-N 0 1 409.427 4.097 20 5 HIBDMN O=C(Nc1cccc(COCCOc2ccccc2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505805748 914466022 /nfs/dbraw/zinc/46/60/22/914466022.db2.gz WZNHCSVXLVWEND-UHFFFAOYSA-N 0 1 408.410 4.148 20 5 HIBDMN O=C(Nc1nc(-c2ccc(OC(F)F)cc2)cs1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505805292 914466249 /nfs/dbraw/zinc/46/62/49/914466249.db2.gz OAUYDZPOVSSSNX-UHFFFAOYSA-N 0 1 407.354 4.278 20 5 HIBDMN Cc1c(NS(=O)(=O)c2cc(Cl)ccc2Br)cccc1[N+](=O)[O-] ZINC000485391154 900686935 /nfs/dbraw/zinc/68/69/35/900686935.db2.gz PKPKRKLXADUBSG-UHFFFAOYSA-N 0 1 405.657 4.120 20 5 HIBDMN COC(=O)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 ZINC000505853252 914501033 /nfs/dbraw/zinc/50/10/33/914501033.db2.gz JJXJGIXUKOZONC-UHFFFAOYSA-N 0 1 423.263 4.002 20 5 HIBDMN CC[C@@H](NCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1cc(F)cc(Br)c1 ZINC000485828426 901074719 /nfs/dbraw/zinc/07/47/19/901074719.db2.gz JZKYQLAXIBEVOB-MRXNPFEDSA-N 0 1 424.270 4.484 20 5 HIBDMN O=C(NCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000486073349 901265159 /nfs/dbraw/zinc/26/51/59/901265159.db2.gz ZMYLWYGEJTXHMR-UHFFFAOYSA-N 0 1 406.320 4.059 20 5 HIBDMN O=[N+]([O-])c1cccc(Cl)c1CN1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000486835685 901886648 /nfs/dbraw/zinc/88/66/48/901886648.db2.gz SDYHDMZFLNZNRI-JLTOFOAXSA-N 0 1 402.882 4.137 20 5 HIBDMN COc1ccc(CNCc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000486964284 901992617 /nfs/dbraw/zinc/99/26/17/901992617.db2.gz HZLPMOIWTQYBCX-UHFFFAOYSA-N 0 1 406.364 4.302 20 5 HIBDMN C[C@@H](N[C@@H](C)c1ccc(Oc2cccnc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000487915472 902449826 /nfs/dbraw/zinc/44/98/26/902449826.db2.gz KVDBGIJPMSDSIH-JKSUJKDBSA-N 0 1 406.442 4.460 20 5 HIBDMN C[C@@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(Oc2cccnc2)cc1 ZINC000487935587 902465793 /nfs/dbraw/zinc/46/57/93/902465793.db2.gz NQJGMKFANJROFL-ZHRRBRCNSA-N 0 1 418.453 4.238 20 5 HIBDMN Cc1ccc([C@@H](CNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)N2CCCC2)o1 ZINC000489143092 903228675 /nfs/dbraw/zinc/22/86/75/903228675.db2.gz UAWRNMBGTUDKJI-VQIMIIECSA-N 0 1 400.479 4.002 20 5 HIBDMN COc1ccccc1[C@H]1CCN(Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000490339559 903930161 /nfs/dbraw/zinc/93/01/61/903930161.db2.gz JMSODWUQOBMGTK-AWEZNQCLSA-N 0 1 422.428 4.245 20 5 HIBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cc(Cl)ccc1Br ZINC000490376742 903969778 /nfs/dbraw/zinc/96/97/78/903969778.db2.gz XVXZKOUNWVAWGC-UHFFFAOYSA-N 0 1 422.626 4.048 20 5 HIBDMN Cc1ccc(C)c(OCCCCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1 ZINC000490394140 903979624 /nfs/dbraw/zinc/97/96/24/903979624.db2.gz APCYGSDSMDOAAX-UHFFFAOYSA-N 0 1 409.446 4.185 20 5 HIBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000491085082 904420516 /nfs/dbraw/zinc/42/05/16/904420516.db2.gz LWHYHVPOZXDTES-QGZVFWFLSA-N 0 1 413.543 4.443 20 5 HIBDMN COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506176675 914834449 /nfs/dbraw/zinc/83/44/49/914834449.db2.gz LFQUENSIMPJMMF-INIZCTEOSA-N 0 1 421.247 4.049 20 5 HIBDMN COc1ccc([C@@H](NCCn2ccc([N+](=O)[O-])n2)c2ccc(C(F)(F)F)cc2)cc1 ZINC000492577096 904870528 /nfs/dbraw/zinc/87/05/28/904870528.db2.gz DNCURVFPXORQNN-IBGZPJMESA-N 0 1 420.391 4.198 20 5 HIBDMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000493094777 905017107 /nfs/dbraw/zinc/01/71/07/905017107.db2.gz ARPSMKGAHXUNTC-UHFFFAOYSA-N 0 1 413.861 4.389 20 5 HIBDMN CC(=O)Nc1cccc(OCCN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1 ZINC000493988744 905331629 /nfs/dbraw/zinc/33/16/29/905331629.db2.gz HPIGPZKSIZCTLD-HSZRJFAPSA-N 0 1 405.454 4.311 20 5 HIBDMN Cn1cc(CNCc2c(F)cccc2N2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000512561990 921238380 /nfs/dbraw/zinc/23/83/80/921238380.db2.gz OEPXMCGPAYQAQX-UHFFFAOYSA-N 0 1 409.465 4.024 20 5 HIBDMN O=C(Nc1ccc(Br)cc1)C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000512563917 921239847 /nfs/dbraw/zinc/23/98/47/921239847.db2.gz HGAGQUZBHMTCID-UHFFFAOYSA-N 0 1 418.291 4.208 20 5 HIBDMN Cn1cc(CN2CCC3(CC2)OCCc2ccsc23)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000497154126 906813249 /nfs/dbraw/zinc/81/32/49/906813249.db2.gz ZIYOJKNPXPOLJK-UHFFFAOYSA-N 0 1 424.526 4.121 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000501008918 910230749 /nfs/dbraw/zinc/23/07/49/910230749.db2.gz VLVWSFUVFDRYHC-SFHVURJKSA-N 0 1 418.881 4.215 20 5 HIBDMN COc1ccc(NC(=O)[C@H](NCCc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000513219408 921635189 /nfs/dbraw/zinc/63/51/89/921635189.db2.gz RQUBETNBXLWGML-JOCHJYFZSA-N 0 1 405.454 4.116 20 5 HIBDMN Cc1c(CN2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000502322792 911301624 /nfs/dbraw/zinc/30/16/24/911301624.db2.gz ABHQPORAZAYFTI-GOSISDBHSA-N 0 1 411.506 4.135 20 5 HIBDMN O=C(Nc1cccc(C[S@](=O)C2CCCCC2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506472646 915072676 /nfs/dbraw/zinc/07/26/76/915072676.db2.gz GEDQIPUXAZQZKZ-NDEPHWFRSA-N 0 1 402.472 4.134 20 5 HIBDMN CC[C@@H](N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC)c(OC)c1 ZINC000506667584 915342649 /nfs/dbraw/zinc/34/26/49/915342649.db2.gz CRDXNHPQUOOECA-MLGOLLRUSA-N 0 1 421.881 4.333 20 5 HIBDMN Cc1ccc(CNC(=O)C2CCN(C/C=C\c3ccccc3[N+](=O)[O-])CC2)cc1F ZINC000507131952 915882553 /nfs/dbraw/zinc/88/25/53/915882553.db2.gz NRAGDHYRVBBUAO-XQRVVYSFSA-N 0 1 411.477 4.084 20 5 HIBDMN CC(C)C(=O)NC1CCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000507186640 915934335 /nfs/dbraw/zinc/93/43/35/915934335.db2.gz GASBQBBMXPZRNH-UHFFFAOYSA-N 0 1 410.518 4.099 20 5 HIBDMN O=C(Nc1cccc(Br)c1)C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000507282830 916048307 /nfs/dbraw/zinc/04/83/07/916048307.db2.gz XBOOZIRREPSVIA-UHFFFAOYSA-N 0 1 418.291 4.208 20 5 HIBDMN CC(C)N1CC[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000507361663 916115979 /nfs/dbraw/zinc/11/59/79/916115979.db2.gz MTPQICOQXLINAB-MOPGFXCFSA-N 0 1 421.856 4.047 20 5 HIBDMN O=C(c1cc2ccccc2c2cccnc12)N1CCC(CCCN2CCOCC2)CC1 ZINC000507839835 916649233 /nfs/dbraw/zinc/64/92/33/916649233.db2.gz XHAUFZDLDYHFDA-UHFFFAOYSA-N 0 1 417.553 4.353 20 5 HIBDMN Cc1noc([C@H]2CCCN(Cc3ccc(N(C)c4ccccc4)c([N+](=O)[O-])c3)C2)n1 ZINC000509346896 918011856 /nfs/dbraw/zinc/01/18/56/918011856.db2.gz YOYCBOLMTADRTR-SFHVURJKSA-N 0 1 407.474 4.434 20 5 HIBDMN O=C(NC1(c2cccc(Br)c2)CCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000509882082 918484356 /nfs/dbraw/zinc/48/43/56/918484356.db2.gz CKNZFDGWEFVCIM-UHFFFAOYSA-N 0 1 415.247 4.043 20 5 HIBDMN CCN(CC)[C@H](C(=O)NCc1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000510478146 918932042 /nfs/dbraw/zinc/93/20/42/918932042.db2.gz ZJKUIRMEOKITSW-SFHVURJKSA-N 0 1 409.408 4.313 20 5 HIBDMN O=C(NC[C@H](c1ccco1)N1CCCCC1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000510822374 919300051 /nfs/dbraw/zinc/30/00/51/919300051.db2.gz VCRSBDRXLBUBSY-OAHLLOKOSA-N 0 1 424.404 4.138 20 5 HIBDMN NC(=O)c1ccc(CN(Cc2ccccc2C(F)(F)F)CC2CC2)c([N+](=O)[O-])c1 ZINC000511136703 919752342 /nfs/dbraw/zinc/75/23/42/919752342.db2.gz KDHIVDWPWKAPRU-UHFFFAOYSA-N 0 1 407.392 4.125 20 5 HIBDMN COc1ccccc1[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1C)N1CCCCC1 ZINC000511206649 919818290 /nfs/dbraw/zinc/81/82/90/919818290.db2.gz ORPDKDRUIUTRDY-FQEVSTJZSA-N 0 1 412.490 4.261 20 5 HIBDMN CCCCNC(=O)[C@H]1CC[C@H](C)N(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000511496259 920105707 /nfs/dbraw/zinc/10/57/07/920105707.db2.gz UGRDPPXTAOTBAF-RDJZCZTQSA-N 0 1 416.547 4.235 20 5 HIBDMN COc1cc(CNc2ccc(C(=O)N3CCC(C)CC3)cc2C)cc([N+](=O)[O-])c1O ZINC000512359282 921101753 /nfs/dbraw/zinc/10/17/53/921101753.db2.gz DLOFOYIQHWSJPW-UHFFFAOYSA-N 0 1 413.474 4.102 20 5 HIBDMN Cc1ccc(NC(=O)[C@H](N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c2ccccc2)c([N+](=O)[O-])c1 ZINC000513857661 922184890 /nfs/dbraw/zinc/18/48/90/922184890.db2.gz OJYDTNURXHKPPF-UPZYVNNASA-N 0 1 421.497 4.130 20 5 HIBDMN Cc1ccccc1CN(Cc1cccnc1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000516774147 923883114 /nfs/dbraw/zinc/88/31/14/923883114.db2.gz WATOKTHONJCHEN-UHFFFAOYSA-N 0 1 401.426 4.017 20 5 HIBDMN C[C@@H](C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000519063183 927740656 /nfs/dbraw/zinc/74/06/56/927740656.db2.gz CZWVWSDZVAQJLO-SNVBAGLBSA-N 0 1 405.336 4.141 20 5 HIBDMN C[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1nc(C(C)(C)C)cs1 ZINC000520739172 928790721 /nfs/dbraw/zinc/79/07/21/928790721.db2.gz BPDYQUUKNBQRBF-SECBINFHSA-N 0 1 403.913 4.042 20 5 HIBDMN C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(OCc2cccnc2)cc1 ZINC000521421257 929213272 /nfs/dbraw/zinc/21/32/72/929213272.db2.gz RIHJQMHWDLHGGE-HNNXBMFYSA-N 0 1 403.442 4.296 20 5 HIBDMN C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(OCc2cccnc2)cc1 ZINC000521421258 929214270 /nfs/dbraw/zinc/21/42/70/929214270.db2.gz RIHJQMHWDLHGGE-OAHLLOKOSA-N 0 1 403.442 4.296 20 5 HIBDMN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000525626914 930371923 /nfs/dbraw/zinc/37/19/23/930371923.db2.gz PCEMCMAQQWWUDW-HSZRJFAPSA-N 0 1 416.437 4.146 20 5 HIBDMN COc1cc(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000530959897 930868394 /nfs/dbraw/zinc/86/83/94/930868394.db2.gz WPCSKTKNMDSZRR-UHFFFAOYSA-N 0 1 411.414 4.298 20 5 HIBDMN Cc1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000530965442 930870338 /nfs/dbraw/zinc/87/03/38/930870338.db2.gz WMNLRGKECZMLTM-QWHCGFSZSA-N 0 1 411.380 4.480 20 5 HIBDMN O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000531265116 930987416 /nfs/dbraw/zinc/98/74/16/930987416.db2.gz UJGILDUHVBCIMN-FQEVSTJZSA-N 0 1 401.894 4.134 20 5 HIBDMN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000532460181 931444920 /nfs/dbraw/zinc/44/49/20/931444920.db2.gz UBACBVMYXIRMPD-SJORKVTESA-N 0 1 419.547 4.346 20 5 HIBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1cc(Br)ccc1F ZINC000532523669 931474154 /nfs/dbraw/zinc/47/41/54/931474154.db2.gz GEWDTHOJYPHYBJ-UHFFFAOYSA-N 0 1 424.270 4.265 20 5 HIBDMN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCc4c(cnn4-c4ccccc4)C3)o2)c1 ZINC000532639856 931563480 /nfs/dbraw/zinc/56/34/80/931563480.db2.gz JDQMFMQDAAWJCF-UHFFFAOYSA-N 0 1 415.453 4.036 20 5 HIBDMN COc1ccc(NC(=O)CN(C2CC2)C2CC(c3ccccc3C)C2)c([N+](=O)[O-])c1 ZINC000532979442 931724799 /nfs/dbraw/zinc/72/47/99/931724799.db2.gz JNXKIVJWMAQTFO-UHFFFAOYSA-N 0 1 409.486 4.261 20 5 HIBDMN O=[N+]([O-])c1ccc(CNC2(c3cccc(Br)c3)CCOCC2)c(F)c1 ZINC000533027438 931744477 /nfs/dbraw/zinc/74/44/77/931744477.db2.gz XBLPJVDEYREATH-UHFFFAOYSA-N 0 1 409.255 4.292 20 5 HIBDMN C[C@@H](CNCc1ccc(Oc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1)S(C)(=O)=O ZINC000533129092 931776216 /nfs/dbraw/zinc/77/62/16/931776216.db2.gz YRGSHGHFLLRBGD-HNNXBMFYSA-N 0 1 420.531 4.207 20 5 HIBDMN Cc1[nH]c2ccccc2c1C1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000533246359 931818056 /nfs/dbraw/zinc/81/80/56/931818056.db2.gz FEMVVHGOFVRELY-UHFFFAOYSA-N 0 1 406.486 4.227 20 5 HIBDMN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCN(C/C=C\c4ccccc4)CC3)o2)c1 ZINC000533422178 931863339 /nfs/dbraw/zinc/86/33/39/931863339.db2.gz IQYKNQVLZVRRMW-YVMONPNESA-N 0 1 418.497 4.123 20 5 HIBDMN O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000534290564 932376853 /nfs/dbraw/zinc/37/68/53/932376853.db2.gz MBHCMVPYHJIQEZ-FQEVSTJZSA-N 0 1 424.888 4.363 20 5 HIBDMN O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000534290565 932376995 /nfs/dbraw/zinc/37/69/95/932376995.db2.gz MBHCMVPYHJIQEZ-HXUWFJFHSA-N 0 1 424.888 4.363 20 5 HIBDMN C[C@@](O)(CNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C(F)(F)F ZINC000535543508 933234047 /nfs/dbraw/zinc/23/40/47/933234047.db2.gz RRPZNFSTLIGDQX-MRXNPFEDSA-N 0 1 404.772 4.443 20 5 HIBDMN C[C@H](C(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1)c1cccc([N+](=O)[O-])c1 ZINC000562403356 945070576 /nfs/dbraw/zinc/07/05/76/945070576.db2.gz GGBSJEZSRXADNH-MAUKXSAKSA-N 0 1 411.506 4.270 20 5 HIBDMN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)c1 ZINC000537317672 933714809 /nfs/dbraw/zinc/71/48/09/933714809.db2.gz IKHFDGSNLRULAP-SFHVURJKSA-N 0 1 410.430 4.039 20 5 HIBDMN CCc1ccc(C(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)cc1[N+](=O)[O-] ZINC000537542865 938319491 /nfs/dbraw/zinc/31/94/91/938319491.db2.gz DVBIEUPNWDXFQH-SFHVURJKSA-N 0 1 411.506 4.343 20 5 HIBDMN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000537549005 938320455 /nfs/dbraw/zinc/32/04/55/938320455.db2.gz LTTQRAQFZXBVKQ-HNNXBMFYSA-N 0 1 417.425 4.146 20 5 HIBDMN CSc1ccc(C(=O)N2CCC[C@@H](c3nnc(-c4ccccc4)[nH]3)C2)cc1[N+](=O)[O-] ZINC000537548402 938320503 /nfs/dbraw/zinc/32/05/03/938320503.db2.gz GLCRTLIFOIGQKC-MRXNPFEDSA-N 0 1 423.498 4.122 20 5 HIBDMN COc1ccc([C@@H](CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)N2CCCC2)cc1 ZINC000537644530 938344999 /nfs/dbraw/zinc/34/49/99/938344999.db2.gz MBXYNBHQVYZTKE-HXUWFJFHSA-N 0 1 411.502 4.096 20 5 HIBDMN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000537653996 938347760 /nfs/dbraw/zinc/34/77/60/938347760.db2.gz LZJXYYBSVYUXFJ-UHFFFAOYSA-N 0 1 424.784 4.214 20 5 HIBDMN Cc1ccc([C@H](C)NCC(=O)Nc2cc3c(cc2Cl)OCCCO3)cc1[N+](=O)[O-] ZINC000538280885 938582429 /nfs/dbraw/zinc/58/24/29/938582429.db2.gz XKDJVTOZWGPFFB-ZDUSSCGKSA-N 0 1 419.865 4.007 20 5 HIBDMN CSc1ccc(C)c(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000538298356 938586757 /nfs/dbraw/zinc/58/67/57/938586757.db2.gz HJKGOYULIIXNKC-UHFFFAOYSA-N 0 1 417.306 4.188 20 5 HIBDMN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000538645518 938671776 /nfs/dbraw/zinc/67/17/76/938671776.db2.gz CZOANUIJTOXHMI-HNNXBMFYSA-N 0 1 422.489 4.262 20 5 HIBDMN NC(=O)CCC1CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000538718934 938690184 /nfs/dbraw/zinc/69/01/84/938690184.db2.gz XSBDMDYRSPTNRD-UHFFFAOYSA-N 0 1 401.438 4.004 20 5 HIBDMN CC[C@@H](N[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000539255346 938827636 /nfs/dbraw/zinc/82/76/36/938827636.db2.gz JQMSNRWPMLOZBV-SWLSCSKDSA-N 0 1 423.416 4.273 20 5 HIBDMN COc1cc([C@H](C)NCC(=O)Nc2ccccc2[N+](=O)[O-])ccc1OC1CCCC1 ZINC000539256849 938828065 /nfs/dbraw/zinc/82/80/65/938828065.db2.gz IYSFHUNBZVQQNE-HNNXBMFYSA-N 0 1 413.474 4.214 20 5 HIBDMN CC[C@@H](N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)OCCO2 ZINC000539277928 938832257 /nfs/dbraw/zinc/83/22/57/938832257.db2.gz XAMMZMSATURFJZ-MLGOLLRUSA-N 0 1 419.865 4.087 20 5 HIBDMN NC(=O)c1ccc(CN[C@H](Cc2ccccc2Cl)c2ccccc2)c([N+](=O)[O-])c1 ZINC000539310848 938838938 /nfs/dbraw/zinc/83/89/38/938838938.db2.gz PFMADDMUGSWNLR-HXUWFJFHSA-N 0 1 409.873 4.421 20 5 HIBDMN COc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(-c3cccnc3)cc2)c([N+](=O)[O-])c1 ZINC000539333492 938843288 /nfs/dbraw/zinc/84/32/88/938843288.db2.gz CVLPVLKZZZOZGT-HZPDHXFCSA-N 0 1 420.469 4.343 20 5 HIBDMN CCOc1ccc(NC(=O)CN[C@@H](C)c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000539346769 938846194 /nfs/dbraw/zinc/84/61/94/938846194.db2.gz ZOIHSWICDVFVND-LBPRGKRZSA-N 0 1 411.380 4.302 20 5 HIBDMN C[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(N2CCCC2)c1 ZINC000539378418 938851543 /nfs/dbraw/zinc/85/15/43/938851543.db2.gz CKXBOPXXYOTPPG-AWEZNQCLSA-N 0 1 402.882 4.138 20 5 HIBDMN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000539671227 938898380 /nfs/dbraw/zinc/89/83/80/938898380.db2.gz DPBPGNQOUIIZFV-UHFFFAOYSA-N 0 1 402.451 4.432 20 5 HIBDMN CC(=O)c1ccc(O)c(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1 ZINC000539748307 938920109 /nfs/dbraw/zinc/92/01/09/938920109.db2.gz GWEWURCJTRFHNX-ZDUSSCGKSA-N 0 1 420.425 4.323 20 5 HIBDMN Cc1c([C@H](C)N[C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)cccc1[N+](=O)[O-] ZINC000540138787 939087501 /nfs/dbraw/zinc/08/75/01/939087501.db2.gz GSSFTYYQPLFMBK-IWMITWMQSA-N 0 1 403.910 4.279 20 5 HIBDMN O=[N+]([O-])c1ccc(CN[C@H]2CCCOc3ccc(I)cc32)cc1 ZINC000540191534 939115435 /nfs/dbraw/zinc/11/54/35/939115435.db2.gz UJZGKNVWZPVAEG-INIZCTEOSA-N 0 1 424.238 4.203 20 5 HIBDMN CCOc1ccccc1[C@@H](CC)N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000540350786 939202370 /nfs/dbraw/zinc/20/23/70/939202370.db2.gz DAPKXOSUTXUPPP-WMLDXEAASA-N 0 1 401.463 4.070 20 5 HIBDMN CCCOc1ccc([C@@H](C)NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000540352687 939204557 /nfs/dbraw/zinc/20/45/57/939204557.db2.gz VOJCYDJDKPQOGD-CYBMUJFWSA-N 0 1 421.881 4.335 20 5 HIBDMN COc1ccc(NC(=O)[C@H](C)N[C@H](C)c2ccc(OC(C)C)cc2)c([N+](=O)[O-])c1 ZINC000540363127 939211378 /nfs/dbraw/zinc/21/13/78/939211378.db2.gz IRQBGPUAKRHSRU-CABCVRRESA-N 0 1 401.463 4.068 20 5 HIBDMN C[C@@H]1C[C@H]1[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000541323034 939490884 /nfs/dbraw/zinc/49/08/84/939490884.db2.gz AIRZIIORGHPCNW-ZNOIYHFQSA-N 0 1 408.907 4.009 20 5 HIBDMN O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000541437664 939516109 /nfs/dbraw/zinc/51/61/09/939516109.db2.gz DEGIHUUZDLGDIS-CYBMUJFWSA-N 0 1 418.881 4.399 20 5 HIBDMN O=C(CCNCc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(Br)cc1 ZINC000541762370 939623553 /nfs/dbraw/zinc/62/35/53/939623553.db2.gz YBRWAIPYCKTHPD-UHFFFAOYSA-N 0 1 412.671 4.129 20 5 HIBDMN C[C@H](C(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1ccc([N+](=O)[O-])cc1F ZINC000542529259 939837944 /nfs/dbraw/zinc/83/79/44/939837944.db2.gz UUKHDJKTZYJMDD-LBPRGKRZSA-N 0 1 405.389 4.414 20 5 HIBDMN Cc1nc(-c2ccccc2)sc1[C@H](C)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000542591296 939847012 /nfs/dbraw/zinc/84/70/12/939847012.db2.gz SXXBLAYZNODRHY-AWEZNQCLSA-N 0 1 422.510 4.267 20 5 HIBDMN COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)c2n[nH]c(C)c2[N+](=O)[O-])c1 ZINC000543304996 940023900 /nfs/dbraw/zinc/02/39/00/940023900.db2.gz VVCWQAYLPRRGAX-GHTZIAJQSA-N 0 1 406.442 4.006 20 5 HIBDMN CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000543560278 940108747 /nfs/dbraw/zinc/10/87/47/940108747.db2.gz ZRBRHENBKUAAMQ-PKOBYXMFSA-N 0 1 412.421 4.136 20 5 HIBDMN COc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-] ZINC000543858444 940212508 /nfs/dbraw/zinc/21/25/08/940212508.db2.gz ZRIAOXDRTXUPGO-UHFFFAOYSA-N 0 1 410.757 4.076 20 5 HIBDMN COc1ccc(NC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000543892547 940230100 /nfs/dbraw/zinc/23/01/00/940230100.db2.gz UGQNGZIQGAVBDN-UHFFFAOYSA-N 0 1 418.881 4.043 20 5 HIBDMN CC[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1nc(C(F)(F)F)cs1 ZINC000544460442 940440538 /nfs/dbraw/zinc/44/05/38/940440538.db2.gz KZYIPVOHOQQIFS-LBPRGKRZSA-N 0 1 416.425 4.448 20 5 HIBDMN O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000544622898 940492594 /nfs/dbraw/zinc/49/25/94/940492594.db2.gz YRLWUUQTYFCEPV-CQSZACIVSA-N 0 1 416.457 4.311 20 5 HIBDMN Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc(-c3ccccc3Cl)[nH]c2c1 ZINC000544786857 940513999 /nfs/dbraw/zinc/51/39/99/940513999.db2.gz UKRUGKVPDZSCGE-UHFFFAOYSA-N 0 1 408.805 4.021 20 5 HIBDMN COc1cc(Cc2noc(-c3cc(-c4ccccc4Cl)n[nH]3)n2)ccc1[N+](=O)[O-] ZINC000545077205 940540062 /nfs/dbraw/zinc/54/00/62/940540062.db2.gz WPXZBJOXCHAIOF-UHFFFAOYSA-N 0 1 411.805 4.288 20 5 HIBDMN COc1cccc(-c2cc(-c3nc(Cc4c[nH]c5ccc([N+](=O)[O-])cc45)no3)[nH]n2)c1 ZINC000545079121 940540311 /nfs/dbraw/zinc/54/03/11/940540311.db2.gz IGGLLMOYWCFFPV-UHFFFAOYSA-N 0 1 416.397 4.116 20 5 HIBDMN CC[C@H](CC(F)(F)F)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000546180956 940722653 /nfs/dbraw/zinc/72/26/53/940722653.db2.gz MRZCSMQVMSPVTK-DTWKUNHWSA-N 0 1 401.307 4.261 20 5 HIBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(Cc2nnc(-c3ccccc3)[nH]2)no1 ZINC000546427556 940817752 /nfs/dbraw/zinc/81/77/52/940817752.db2.gz GTOLJQBOGIWDRV-LBPRGKRZSA-N 0 1 408.443 4.207 20 5 HIBDMN Cc1nn(-c2ccccc2)c(C)c1[C@@H](NCc1cc(O)ccc1[N+](=O)[O-])C(F)(F)F ZINC000549532628 941198342 /nfs/dbraw/zinc/19/83/42/941198342.db2.gz VTQHINFFUQUMQC-LJQANCHMSA-N 0 1 420.391 4.496 20 5 HIBDMN O=[N+]([O-])c1ccc(C(F)(F)F)c(-c2nc(Cc3nnc(-c4ccccc4)[nH]3)no2)c1 ZINC000551370438 941463686 /nfs/dbraw/zinc/46/36/86/941463686.db2.gz KZMTUOKOIJPZLF-UHFFFAOYSA-N 0 1 416.319 4.040 20 5 HIBDMN C[C@@H](N[C@H](C)c1ccc(OCC(F)(F)F)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000552913586 941802088 /nfs/dbraw/zinc/80/20/88/941802088.db2.gz NRWOXKWNYYNZQN-CHWSQXEVSA-N 0 1 411.380 4.214 20 5 HIBDMN Cc1nc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)n[nH]1 ZINC000553639107 941930053 /nfs/dbraw/zinc/93/00/53/941930053.db2.gz QSQQOIQHWJTRCF-SNVBAGLBSA-N 0 1 417.878 4.317 20 5 HIBDMN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1ccccc1OC)N1CCCC1 ZINC000555010571 942355343 /nfs/dbraw/zinc/35/53/43/942355343.db2.gz BGBKCACODBZHSI-FQEVSTJZSA-N 0 1 412.490 4.124 20 5 HIBDMN COc1cc(CN2CCC[C@H]2[C@@H]2CCCO2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000556608686 942913881 /nfs/dbraw/zinc/91/38/81/942913881.db2.gz MYUWSSCGSIACBP-FPOVZHCZSA-N 0 1 412.486 4.326 20 5 HIBDMN C[C@@H](NCc1ccc(Br)cc1N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000557279354 943065908 /nfs/dbraw/zinc/06/59/08/943065908.db2.gz FKJKUUAEFGUNKP-CQSZACIVSA-N 0 1 420.307 4.045 20 5 HIBDMN C[C@H](N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000558086368 943376564 /nfs/dbraw/zinc/37/65/64/943376564.db2.gz SKALTRIKSBQYTE-FDDCHVKYSA-N 0 1 403.482 4.173 20 5 HIBDMN O=[N+]([O-])c1cccc(Br)c1OC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000558464779 943566664 /nfs/dbraw/zinc/56/66/64/943566664.db2.gz USDBBGOFOUWDBL-MRXNPFEDSA-N 0 1 421.291 4.027 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000558736216 943635128 /nfs/dbraw/zinc/63/51/28/943635128.db2.gz OQIUZLQXWXHJID-OQIJWPOYSA-N 0 1 409.486 4.341 20 5 HIBDMN Cc1nn(C)c(NC[C@H](c2ccc(Cl)cc2)N(C)CCC(F)(F)F)c1[N+](=O)[O-] ZINC000561345094 944557707 /nfs/dbraw/zinc/55/77/07/944557707.db2.gz KKDPTPPREAUVFF-CQSZACIVSA-N 0 1 419.835 4.328 20 5 HIBDMN COc1ccc(CNCc2cccc(-c3nc(CC(F)(F)F)no3)c2)cc1[N+](=O)[O-] ZINC000564416137 945569886 /nfs/dbraw/zinc/56/98/86/945569886.db2.gz YXURAKIFNZBFSW-UHFFFAOYSA-N 0 1 422.363 4.048 20 5 HIBDMN COc1ccc([C@@H](Cc2ccccc2)NCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000567549536 946373168 /nfs/dbraw/zinc/37/31/68/946373168.db2.gz ZWXFJYXDJYWYQS-OAQYLSRUSA-N 0 1 405.454 4.116 20 5 HIBDMN COCC[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000570112413 947097127 /nfs/dbraw/zinc/09/71/27/947097127.db2.gz MVSGAHAKZQZSLG-OAHLLOKOSA-N 0 1 412.273 4.208 20 5 HIBDMN CCO[C@@H]1C[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[C@H]1n1cccn1 ZINC000571422003 947638342 /nfs/dbraw/zinc/63/83/42/947638342.db2.gz NJGBHZCAQFEYHQ-MISYRCLQSA-N 0 1 416.865 4.213 20 5 HIBDMN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1nc(-c2ccccc2F)cs1 ZINC000572656985 947970965 /nfs/dbraw/zinc/97/09/65/947970965.db2.gz PJADTIVXCPDCPI-ZDUSSCGKSA-N 0 1 414.462 4.364 20 5 HIBDMN COc1cc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc(OC)c1OCC(F)F ZINC000572878232 948027595 /nfs/dbraw/zinc/02/75/95/948027595.db2.gz VHGCJFPDKZVSBT-CYBMUJFWSA-N 0 1 410.417 4.415 20 5 HIBDMN Cc1nc(CN2CCCC23CCN(c2cc(Cl)cc([N+](=O)[O-])n2)CC3)cs1 ZINC001164693067 719807372 /nfs/dbraw/zinc/80/73/72/719807372.db2.gz POSZOWUNUPJBFS-UHFFFAOYSA-N 0 1 407.927 4.043 20 5 HIBDMN O=[N+]([O-])c1ccc2c(ccnc2N2CCC3(CC2)CN(Cc2cccs2)CCO3)c1 ZINC001164706934 719905813 /nfs/dbraw/zinc/90/58/13/719905813.db2.gz LVARFYRRBTVDDX-UHFFFAOYSA-N 0 1 424.526 4.076 20 5 HIBDMN O=C(CSc1n[nH]c(CCC2CCCC2)n1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000012104505 845854417 /nfs/dbraw/zinc/85/44/17/845854417.db2.gz HMNMUPWOVWMBDK-UHFFFAOYSA-N 0 1 409.899 4.220 20 5 HIBDMN O=C(CSc1nc(CCC2CCCC2)n[nH]1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000012104505 845854426 /nfs/dbraw/zinc/85/44/26/845854426.db2.gz HMNMUPWOVWMBDK-UHFFFAOYSA-N 0 1 409.899 4.220 20 5 HIBDMN C[C@@H](Sc1nnc(C(C)(C)C)[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000012257528 845863256 /nfs/dbraw/zinc/86/32/56/845863256.db2.gz NRDOGVKQMLGUNG-MRVPVSSYSA-N 0 1 417.413 4.149 20 5 HIBDMN CC1CCN([C@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)c2cccs2)CC1 ZINC000015692106 846083690 /nfs/dbraw/zinc/08/36/90/846083690.db2.gz QLOIZKATYGECCL-GOSISDBHSA-N 0 1 419.572 4.338 20 5 HIBDMN O=[N+]([O-])c1cccc(NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000016101109 846123544 /nfs/dbraw/zinc/12/35/44/846123544.db2.gz IRMUQJOLAVMEJM-UHFFFAOYSA-N 0 1 414.283 4.433 20 5 HIBDMN CCN1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000023139324 846663801 /nfs/dbraw/zinc/66/38/01/846663801.db2.gz FWQFRZAHPFRPIO-UHFFFAOYSA-N 0 1 423.300 4.296 20 5 HIBDMN CCN1CCN(c2ccc(Cl)cc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000023139454 846664207 /nfs/dbraw/zinc/66/42/07/846664207.db2.gz XJXYCAYBJJSYKI-UHFFFAOYSA-N 0 1 423.300 4.296 20 5 HIBDMN COc1cc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc([N+](=O)[O-])c1O ZINC000024080012 846785830 /nfs/dbraw/zinc/78/58/30/846785830.db2.gz SGMYGCBYZBHAQA-OAQYLSRUSA-N 0 1 405.410 4.076 20 5 HIBDMN Cc1ccc(C=Cc2n[nH]c(S[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)n2)o1 ZINC000028889404 847472600 /nfs/dbraw/zinc/47/26/00/847472600.db2.gz BNNLCSSAIUDQNW-LXKVQUBZSA-N 0 1 413.459 4.212 20 5 HIBDMN Cc1ccc(S(=O)(=O)[N-]c2ccccc2C[N@@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000029384659 847556411 /nfs/dbraw/zinc/55/64/11/847556411.db2.gz NWOIOESSLVUXEF-UHFFFAOYSA-N 0 1 417.531 4.469 20 5 HIBDMN Cc1ccc(S(=O)(=O)[N-]c2ccccc2C[N@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000029384659 847556421 /nfs/dbraw/zinc/55/64/21/847556421.db2.gz NWOIOESSLVUXEF-UHFFFAOYSA-N 0 1 417.531 4.469 20 5 HIBDMN O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@@H](c4nc5ccccc5o4)C3)n2)c1 ZINC000029833146 847628487 /nfs/dbraw/zinc/62/84/87/847628487.db2.gz HBCYKWZMAIVVMG-OAHLLOKOSA-N 0 1 405.414 4.166 20 5 HIBDMN COc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Br ZINC000030509835 847724499 /nfs/dbraw/zinc/72/44/99/847724499.db2.gz ATOKTWQHGDPDBW-NEPJUHHUSA-N 0 1 422.279 4.044 20 5 HIBDMN CCOc1ccc([C@H](C)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC ZINC000043301776 848406470 /nfs/dbraw/zinc/40/64/70/848406470.db2.gz OBYAFZWCLFJKCS-LSDHHAIUSA-N 0 1 401.463 4.070 20 5 HIBDMN COc1ccccc1[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCCC1 ZINC000043343031 848412860 /nfs/dbraw/zinc/41/28/60/848412860.db2.gz DISTXVPXTQXZEL-GOSISDBHSA-N 0 1 418.881 4.215 20 5 HIBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000047344964 849029224 /nfs/dbraw/zinc/02/92/24/849029224.db2.gz JMWRSGUSCAXNIZ-UHFFFAOYSA-N 0 1 405.389 4.021 20 5 HIBDMN CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133252 849435366 /nfs/dbraw/zinc/43/53/66/849435366.db2.gz RAZLPFVZWWUCQH-IIBYNOLFSA-N 0 1 417.893 4.286 20 5 HIBDMN COc1ccc(CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H](C)C2CC2)cc1 ZINC000052867098 849635713 /nfs/dbraw/zinc/63/57/13/849635713.db2.gz SKUNCUVWKTYMOM-OAHLLOKOSA-N 0 1 408.458 4.454 20 5 HIBDMN COc1ccccc1[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)N1CCCCC1 ZINC000055751993 850135144 /nfs/dbraw/zinc/13/51/44/850135144.db2.gz XERSZUMZWLFTCW-IBGZPJMESA-N 0 1 417.893 4.214 20 5 HIBDMN O=C(c1[nH]nc2ccc(Br)cc21)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437129497 862319362 /nfs/dbraw/zinc/31/93/62/862319362.db2.gz ZQKRWUMKMQAJMG-UHFFFAOYSA-N 0 1 415.247 4.038 20 5 HIBDMN O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000109531736 852980966 /nfs/dbraw/zinc/98/09/66/852980966.db2.gz YDYXMPGMYZNZGA-SFHVURJKSA-N 0 1 411.355 4.127 20 5 HIBDMN Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)N2CCCC2)o1 ZINC000437225492 862421513 /nfs/dbraw/zinc/42/15/13/862421513.db2.gz COINZFBYTZVZCN-MRXNPFEDSA-N 0 1 411.380 4.082 20 5 HIBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1csc(Br)c1 ZINC000166083130 853653670 /nfs/dbraw/zinc/65/36/70/853653670.db2.gz ZYCHRUCQZBANNN-UHFFFAOYSA-N 0 1 412.309 4.188 20 5 HIBDMN CC(C)C[C@@H](C)Oc1cc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000236750663 853919548 /nfs/dbraw/zinc/91/95/48/853919548.db2.gz JNGHAHRTUSKCLX-QGZVFWFLSA-N 0 1 423.517 4.494 20 5 HIBDMN CCCC[C@@H](NCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000236860516 853930084 /nfs/dbraw/zinc/93/00/84/853930084.db2.gz ACKHEWBYUYSDSJ-JOCHJYFZSA-N 0 1 410.518 4.482 20 5 HIBDMN CN(C)[C@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1c(F)cccc1F ZINC000237039163 853955405 /nfs/dbraw/zinc/95/54/05/853955405.db2.gz NOKRXEJGJHVOLT-GOSISDBHSA-N 0 1 418.469 4.389 20 5 HIBDMN COc1ccc(CN[C@H](CO)c2ccccc2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237176698 853976490 /nfs/dbraw/zinc/97/64/90/853976490.db2.gz OFLPZGBHHOULPW-OAQYLSRUSA-N 0 1 408.454 4.006 20 5 HIBDMN C[C@@H]1CN([C@@H](CNCc2csc([N+](=O)[O-])c2)c2c(F)cccc2Cl)CCO1 ZINC000237433793 854032779 /nfs/dbraw/zinc/03/27/79/854032779.db2.gz QDYLFQHUJRXUJR-WBMJQRKESA-N 0 1 413.902 4.000 20 5 HIBDMN C[C@@H](NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000237469819 854038996 /nfs/dbraw/zinc/03/89/96/854038996.db2.gz GMEKOGUOUZFDNL-MRXNPFEDSA-N 0 1 402.458 4.032 20 5 HIBDMN Cn1cc(CNCc2ccccc2OCC(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237934841 854121691 /nfs/dbraw/zinc/12/16/91/854121691.db2.gz TYBBQNRPQSZISE-UHFFFAOYSA-N 0 1 420.391 4.226 20 5 HIBDMN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H](O)COc3ccc(F)cc3)o2)c(Cl)c1 ZINC000237965253 854126787 /nfs/dbraw/zinc/12/67/87/854126787.db2.gz QTXUDKKANIUCJK-OAHLLOKOSA-N 0 1 420.824 4.177 20 5 HIBDMN O=[N+]([O-])c1cccc(-c2nc(CNCCc3csc(N4CCCC4)n3)cs2)c1 ZINC000238006834 854132822 /nfs/dbraw/zinc/13/28/22/854132822.db2.gz SVNLUDUFAGAQKE-UHFFFAOYSA-N 0 1 415.544 4.107 20 5 HIBDMN C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1nc(-c2ccccc2)cs1 ZINC000303348016 854885468 /nfs/dbraw/zinc/88/54/68/854885468.db2.gz WZDZTHXEDVHOHA-NSHDSACASA-N 0 1 423.903 4.411 20 5 HIBDMN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000319654745 855386301 /nfs/dbraw/zinc/38/63/01/855386301.db2.gz QAEZNKGLQAXAMQ-UHFFFAOYSA-N 0 1 405.657 4.120 20 5 HIBDMN Cc1csc(-c2cccc(S(=O)(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)c2)n1 ZINC000410342808 855939163 /nfs/dbraw/zinc/93/91/63/855939163.db2.gz NXGSYOVJLQRMPX-UHFFFAOYSA-N 0 1 403.485 4.444 20 5 HIBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(F)c(Br)cc2Cl)s1 ZINC000410399727 855975062 /nfs/dbraw/zinc/97/50/62/855975062.db2.gz GBZHZYXANOHCDU-UHFFFAOYSA-N 0 1 415.649 4.012 20 5 HIBDMN Cc1nc(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)ccc1C(=O)[O-] ZINC000426662792 856399372 /nfs/dbraw/zinc/39/93/72/856399372.db2.gz YJQXSNCGHKIFTP-UHFFFAOYSA-N 0 1 411.389 4.218 20 5 HIBDMN Cc1c(CN2CCSCC2)cccc1NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000433236133 859583120 /nfs/dbraw/zinc/58/31/20/859583120.db2.gz XGNSFPMEVVIPLG-UHFFFAOYSA-N 0 1 413.543 4.368 20 5 HIBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H]2c2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000433994500 860024597 /nfs/dbraw/zinc/02/45/97/860024597.db2.gz SMFCUQFSYNDMBS-ZDUSSCGKSA-N 0 1 407.268 4.181 20 5 HIBDMN CC(C)c1[nH]nc(C(=O)N2CC=C(c3ccccc3C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000434360449 860309665 /nfs/dbraw/zinc/30/96/65/860309665.db2.gz QTLQXYBMBXLYGS-UHFFFAOYSA-N 0 1 408.380 4.390 20 5 HIBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC2(CCC2)c2cc(Br)ccc21 ZINC000434379789 860324181 /nfs/dbraw/zinc/32/41/81/860324181.db2.gz MEXILQXMVYVDIB-UHFFFAOYSA-N 0 1 403.232 4.145 20 5 HIBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(N4CCC[C@H](C)C4)c([N+](=O)[O-])c3)c2C)o1 ZINC000434432691 860348106 /nfs/dbraw/zinc/34/81/06/860348106.db2.gz LOVOEVGWVVOKOA-ZDUSSCGKSA-N 0 1 423.473 4.683 20 5 HIBDMN CN(CCCc1cc(-c2ccc(F)cc2)n(C)n1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000434833070 860512569 /nfs/dbraw/zinc/51/25/69/860512569.db2.gz UVLKJACXBUUVRG-UHFFFAOYSA-N 0 1 423.448 4.340 20 5 HIBDMN O=[N+]([O-])c1ccc2oc(CN3CCC[C@H](c4nc(-c5ccc(F)cc5)no4)C3)nc2c1 ZINC000434855929 860524438 /nfs/dbraw/zinc/52/44/38/860524438.db2.gz POUQUOCMWULLIV-AWEZNQCLSA-N 0 1 423.404 4.305 20 5 HIBDMN COc1cc(CN2CCSC(C)(C)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000435041680 860612336 /nfs/dbraw/zinc/61/23/36/860612336.db2.gz RBOANAGLACFGTO-UHFFFAOYSA-N 0 1 408.442 4.262 20 5 HIBDMN O=C(CCN1CCc2ccc([N+](=O)[O-])cc2C1)N[C@@H](c1cccs1)c1ccccc1 ZINC000438528064 863953158 /nfs/dbraw/zinc/95/31/58/863953158.db2.gz LKGYWCGXIYMZBT-HSZRJFAPSA-N 0 1 421.522 4.310 20 5 HIBDMN Cc1c(CC(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)cccc1[N+](=O)[O-] ZINC000438829162 864324069 /nfs/dbraw/zinc/32/40/69/864324069.db2.gz JPCRJHZKTYPHNP-QHCPKHFHSA-N 0 1 400.438 4.228 20 5 HIBDMN Cc1ccc(NC(=O)[C@H](N[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000439629548 864954300 /nfs/dbraw/zinc/95/43/00/864954300.db2.gz AINXZHULPVOINC-CIQXWFTPSA-N 0 1 423.513 4.376 20 5 HIBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000439934505 865234749 /nfs/dbraw/zinc/23/47/49/865234749.db2.gz RXMHCWUIBDKPRZ-KRWDZBQOSA-N 0 1 422.445 4.148 20 5 HIBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000439934505 865234764 /nfs/dbraw/zinc/23/47/64/865234764.db2.gz RXMHCWUIBDKPRZ-KRWDZBQOSA-N 0 1 422.445 4.148 20 5 HIBDMN O=[N+]([O-])c1ccccc1OCCN1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441071050 866160279 /nfs/dbraw/zinc/16/02/79/866160279.db2.gz PXZLWYJMMKSYNN-LBPRGKRZSA-N 0 1 401.410 4.329 20 5 HIBDMN C[C@@H](OC[C@H](O)CN(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(Cl)cc1 ZINC000441256880 866331076 /nfs/dbraw/zinc/33/10/76/866331076.db2.gz ANMSANZZOVISGC-FOIQADDNSA-N 0 1 404.894 4.351 20 5 HIBDMN C[C@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000441266095 866340592 /nfs/dbraw/zinc/34/05/92/866340592.db2.gz UKIPWWWNEVZQQX-SGTLLEGYSA-N 0 1 407.392 4.296 20 5 HIBDMN Cc1ccc([C@H](Cn2ccnc2)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000441370207 866438820 /nfs/dbraw/zinc/43/88/20/866438820.db2.gz HDJVBJQTZKDIAN-NQIIRXRSSA-N 0 1 421.501 4.075 20 5 HIBDMN Cc1ccc([C@@H](Cn2ccnc2)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000441370206 866439235 /nfs/dbraw/zinc/43/92/35/866439235.db2.gz HDJVBJQTZKDIAN-GHTZIAJQSA-N 0 1 421.501 4.075 20 5 HIBDMN C[C@@H](c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1)N1[C@H](C)CC[C@@H]1C ZINC000443221774 867880529 /nfs/dbraw/zinc/88/05/29/867880529.db2.gz HHIQKJISSGUATO-TUAOUCFPSA-N 0 1 409.284 4.265 20 5 HIBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000443658051 868259663 /nfs/dbraw/zinc/25/96/63/868259663.db2.gz NDXBIYNLWHLAIH-MRXNPFEDSA-N 0 1 403.866 4.039 20 5 HIBDMN CCN1CCN(c2ccccc2NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000443797425 868336288 /nfs/dbraw/zinc/33/62/88/868336288.db2.gz DAFXOPFNXIOZHB-UHFFFAOYSA-N 0 1 422.407 4.008 20 5 HIBDMN CCc1[nH]nc(C(=O)N(Cc2cc(C)nc3ccccc23)C2CCCC2)c1[N+](=O)[O-] ZINC000444174010 868648816 /nfs/dbraw/zinc/64/88/16/868648816.db2.gz FUBMHYQYRMWQGX-UHFFFAOYSA-N 0 1 407.474 4.322 20 5 HIBDMN CCc1[nH]nc(C(=O)N(CC)[C@@H](c2ccc(Cl)cc2)c2cccnc2)c1[N+](=O)[O-] ZINC000444271063 868707684 /nfs/dbraw/zinc/70/76/84/868707684.db2.gz TZAVHSMAXOCMBU-SFHVURJKSA-N 0 1 413.865 4.180 20 5 HIBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C)c1nc2ccccc2n1C(F)F ZINC000444659572 868937919 /nfs/dbraw/zinc/93/79/19/868937919.db2.gz DCRCIBGZXCQZAG-CYBMUJFWSA-N 0 1 417.416 4.327 20 5 HIBDMN CC(C)[C@H](CC(F)(F)F)NCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000445894944 869876557 /nfs/dbraw/zinc/87/65/57/869876557.db2.gz RQFDIIBNNJUNEB-ZDUSSCGKSA-N 0 1 416.425 4.223 20 5 HIBDMN Cc1cccc([N+](=O)[O-])c1C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000446048345 870010077 /nfs/dbraw/zinc/01/00/77/870010077.db2.gz TXLUAMBNBNDEOM-UHFFFAOYSA-N 0 1 401.894 4.199 20 5 HIBDMN C[C@@H]1CCCN(c2ccc(C(=O)N(C)Cc3cc(C(C)(C)C)[nH]n3)cc2[N+](=O)[O-])C1 ZINC000446651478 870566446 /nfs/dbraw/zinc/56/64/46/870566446.db2.gz FBQVSIISEQDWDH-OAHLLOKOSA-N 0 1 413.522 4.124 20 5 HIBDMN Cc1cc(C2CCN(c3cc(C(F)(F)C(F)(F)F)ncc3[N+](=O)[O-])CC2)[nH]n1 ZINC000447684239 871617807 /nfs/dbraw/zinc/61/78/07/871617807.db2.gz YLUPZINDIFWDSY-UHFFFAOYSA-N 0 1 405.327 4.059 20 5 HIBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc2c1OCC[C@@H]2N(C)C ZINC000447721801 871666243 /nfs/dbraw/zinc/66/62/43/871666243.db2.gz HDSJZMJYNPZXEF-UGSOOPFHSA-N 0 1 401.488 4.099 20 5 HIBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1cn2cc(Br)ccc2n1 ZINC000468653258 882789004 /nfs/dbraw/zinc/78/90/04/882789004.db2.gz OHNBSIQYWSLUJJ-NTUHNPAUSA-N 0 1 401.264 4.198 20 5 HIBDMN CN(C)[C@@H]1CCOc2c(NC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)cccc21 ZINC000468853965 882891028 /nfs/dbraw/zinc/89/10/28/882891028.db2.gz DYSITMPHNZHWTO-GOSISDBHSA-N 0 1 424.482 4.356 20 5 HIBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC1(c2nccs2)CCCC1 ZINC000462152911 875248196 /nfs/dbraw/zinc/24/81/96/875248196.db2.gz VTVUXASYRHWWJR-UHFFFAOYSA-N 0 1 422.315 4.106 20 5 HIBDMN O=[N+]([O-])c1ccc(OCc2nc(-c3ccc4[nH]c(-c5cscn5)nc4c3)no2)cc1 ZINC000463180637 876236950 /nfs/dbraw/zinc/23/69/50/876236950.db2.gz ADZHMTCYYBVERJ-UHFFFAOYSA-N 0 1 420.410 4.224 20 5 HIBDMN Cc1ccc([C@H](CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])N2CCCC2)o1 ZINC000463593516 876703977 /nfs/dbraw/zinc/70/39/77/876703977.db2.gz TZJIGAVXMGAZAP-INIZCTEOSA-N 0 1 411.380 4.082 20 5 HIBDMN Cc1ccc([C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])N2CCCC2)o1 ZINC000463593517 876704805 /nfs/dbraw/zinc/70/48/05/876704805.db2.gz TZJIGAVXMGAZAP-MRXNPFEDSA-N 0 1 411.380 4.082 20 5 HIBDMN C[C@H](NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)N1CCCC1 ZINC000466403400 880169311 /nfs/dbraw/zinc/16/93/11/880169311.db2.gz GMZZEAABYROUDZ-AWEZNQCLSA-N 0 1 403.866 4.141 20 5 HIBDMN Cc1sc(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)cc1[N+](=O)[O-] ZINC000469474104 883701960 /nfs/dbraw/zinc/70/19/60/883701960.db2.gz IKMAHGVCWJFMJU-CQSZACIVSA-N 0 1 401.410 4.016 20 5 HIBDMN Cc1sc(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)cc1[N+](=O)[O-] ZINC000469474103 883702061 /nfs/dbraw/zinc/70/20/61/883702061.db2.gz IKMAHGVCWJFMJU-AWEZNQCLSA-N 0 1 401.410 4.016 20 5 HIBDMN CN(C)[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000469494142 883736163 /nfs/dbraw/zinc/73/61/63/883736163.db2.gz PAALRCVLDSDZCZ-INIZCTEOSA-N 0 1 415.799 4.300 20 5 HIBDMN Cc1csc(Oc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2F)n1 ZINC000470267270 884616602 /nfs/dbraw/zinc/61/66/02/884616602.db2.gz PKJDHEIDMDMZBZ-UHFFFAOYSA-N 0 1 409.420 4.092 20 5 HIBDMN CN(C)[C@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)c1cccc(C(F)(F)F)c1 ZINC000470601607 885027906 /nfs/dbraw/zinc/02/79/06/885027906.db2.gz PWALXVWNQLDSAR-GOSISDBHSA-N 0 1 420.391 4.128 20 5 HIBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470714404 885154563 /nfs/dbraw/zinc/15/45/63/885154563.db2.gz ROXLPJMPMRKRGG-GFCCVEGCSA-N 0 1 421.240 4.071 20 5 HIBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(CN2CCSCC2)cc1C ZINC000470879025 885369467 /nfs/dbraw/zinc/36/94/67/885369467.db2.gz FMEXTVNVRIJTBF-UHFFFAOYSA-N 0 1 415.515 4.103 20 5 HIBDMN O=[N+]([O-])c1cccc([C@@H](NCc2n[nH]c(COc3ccccc3)n2)c2ccccc2)c1 ZINC000471589918 886301765 /nfs/dbraw/zinc/30/17/65/886301765.db2.gz IRTVTXJURYMZLX-QHCPKHFHSA-N 0 1 415.453 4.171 20 5 HIBDMN O=[N+]([O-])c1cccc([C@H](NCc2n[nH]c(COc3ccccc3)n2)c2ccccc2)c1 ZINC000471589917 886303072 /nfs/dbraw/zinc/30/30/72/886303072.db2.gz IRTVTXJURYMZLX-HSZRJFAPSA-N 0 1 415.453 4.171 20 5 HIBDMN COc1cccc([C@@H]2[C@H](NC(=O)Nc3ccc([N+](=O)[O-])c(C)c3)CCN2C2CC2)c1 ZINC000471952395 886759090 /nfs/dbraw/zinc/75/90/90/886759090.db2.gz GQWACNSYRZZEGU-TZIWHRDSSA-N 0 1 410.474 4.011 20 5 HIBDMN COc1cccc([C@@H]2[C@@H](NC(=O)Nc3ccc([N+](=O)[O-])c(C)c3)CCN2C2CC2)c1 ZINC000471952394 886760544 /nfs/dbraw/zinc/76/05/44/886760544.db2.gz GQWACNSYRZZEGU-PZJWPPBQSA-N 0 1 410.474 4.011 20 5 HIBDMN Cc1c(NC(=O)CCN(C)[C@@]2(c3ccccc3)CCCCC2=O)cccc1[N+](=O)[O-] ZINC000472636520 887500863 /nfs/dbraw/zinc/50/08/63/887500863.db2.gz PSGZMMDRHAIPFM-HSZRJFAPSA-N 0 1 409.486 4.202 20 5 HIBDMN CCCN(C(=O)c1cccc([N+](=O)[O-])c1OC)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000475469080 890377301 /nfs/dbraw/zinc/37/73/01/890377301.db2.gz PONNZZQEUMVWBP-LJQANCHMSA-N 0 1 411.502 4.120 20 5 HIBDMN COc1cccc([C@H]2[C@@H](NC(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)CCN2C2CC2)c1 ZINC000475564632 890493890 /nfs/dbraw/zinc/49/38/90/890493890.db2.gz NBIWFSYPHQVXEJ-UGKGYDQZSA-N 0 1 424.501 4.320 20 5 HIBDMN COc1ccc(CN(CCc2ccccn2)Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000475565465 890496065 /nfs/dbraw/zinc/49/60/65/890496065.db2.gz PUUKCBQLOJQQMZ-UHFFFAOYSA-N 0 1 407.470 4.252 20 5 HIBDMN COc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2cc3cccc(F)c3o2)c([N+](=O)[O-])c1 ZINC000475692102 890631811 /nfs/dbraw/zinc/63/18/11/890631811.db2.gz GAXMBMUZTROJRE-RYUDHWBXSA-N 0 1 401.394 4.167 20 5 HIBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)cc1 ZINC000475824283 890757979 /nfs/dbraw/zinc/75/79/79/890757979.db2.gz ALXNWDIIQMSPSV-UHFFFAOYSA-N 0 1 412.292 4.016 20 5 HIBDMN CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H]1CCSc2ccc(Br)cc21 ZINC000476240393 891163781 /nfs/dbraw/zinc/16/37/81/891163781.db2.gz UJLPLEYKQPIOQB-HNNXBMFYSA-N 0 1 423.288 4.372 20 5 HIBDMN COc1c(C(=O)Nc2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)cccc1[N+](=O)[O-] ZINC000476435799 891347233 /nfs/dbraw/zinc/34/72/33/891347233.db2.gz LULJJRKLTGFROU-UHFFFAOYSA-N 0 1 415.409 4.308 20 5 HIBDMN COc1c(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)cccc1[N+](=O)[O-] ZINC000476435799 891347254 /nfs/dbraw/zinc/34/72/54/891347254.db2.gz LULJJRKLTGFROU-UHFFFAOYSA-N 0 1 415.409 4.308 20 5 HIBDMN O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CNCc2ccnc3ccnn32)cc1 ZINC000478261816 893448649 /nfs/dbraw/zinc/44/86/49/893448649.db2.gz UGCLYLXQMRMBTR-UHFFFAOYSA-N 0 1 409.833 4.373 20 5 HIBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000478590417 893863336 /nfs/dbraw/zinc/86/33/36/893863336.db2.gz FWUUKKTWQYHTEQ-MRXNPFEDSA-N 0 1 412.389 4.250 20 5 HIBDMN O=C(Nc1ccn(-c2ccncc2)n1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000505133969 913834637 /nfs/dbraw/zinc/83/46/37/913834637.db2.gz HOMXYZIBRSYQNN-UHFFFAOYSA-N 0 1 401.382 4.220 20 5 HIBDMN CC[C@H](Cc1ccccc1Br)N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000479765126 895065387 /nfs/dbraw/zinc/06/53/87/895065387.db2.gz CHFXTTMCYSZTGU-CQSZACIVSA-N 0 1 407.264 4.156 20 5 HIBDMN CCn1nc(C)c([N+](=O)[O-])c1N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000479860328 895197315 /nfs/dbraw/zinc/19/73/15/895197315.db2.gz LZAYODUXUPIKFC-UHFFFAOYSA-N 0 1 405.502 4.031 20 5 HIBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(F)cc1OCC(F)(F)F ZINC000505294302 913952170 /nfs/dbraw/zinc/95/21/70/913952170.db2.gz SUFKYCMPCUPWNM-UHFFFAOYSA-N 0 1 422.356 4.038 20 5 HIBDMN C[C@@H](NCc1cccc(N2CCOCC2)n1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000480769494 896131998 /nfs/dbraw/zinc/13/19/98/896131998.db2.gz PKZDOCWAXHURBS-MRXNPFEDSA-N 0 1 424.526 4.406 20 5 HIBDMN O=[N+]([O-])c1ccccc1CN(Cc1nc2ccc(Br)cc2[nH]1)C1CC1 ZINC000480898873 896254359 /nfs/dbraw/zinc/25/43/59/896254359.db2.gz OJEIPXLBLKNFMJ-UHFFFAOYSA-N 0 1 401.264 4.398 20 5 HIBDMN CCC[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1C)C(=O)N1CCc2sccc2C1 ZINC000482246821 897729838 /nfs/dbraw/zinc/72/98/38/897729838.db2.gz LFPUXBZVEOOISR-MAUKXSAKSA-N 0 1 401.532 4.369 20 5 HIBDMN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000482412987 897958470 /nfs/dbraw/zinc/95/84/70/897958470.db2.gz HVIADLZVLRAZKO-QGZVFWFLSA-N 0 1 407.561 4.437 20 5 HIBDMN C[C@H]1CCCCN1CC(=O)Nc1ccc(F)c(NCc2ccccc2[N+](=O)[O-])c1 ZINC000482667661 898270044 /nfs/dbraw/zinc/27/00/44/898270044.db2.gz WOVYDNLUXTUQNZ-HNNXBMFYSA-N 0 1 400.454 4.159 20 5 HIBDMN Cc1[nH]nc(C(=O)N(C)[C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000482769088 898377220 /nfs/dbraw/zinc/37/72/20/898377220.db2.gz JSTAPWGESKBVTJ-GOSISDBHSA-N 0 1 402.813 4.280 20 5 HIBDMN COc1cccc([C@@H]2[C@H](NC(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)CCN2C2CC2)c1 ZINC000482826596 898434886 /nfs/dbraw/zinc/43/48/86/898434886.db2.gz PIBNXZBOFCSMIL-NFBKMPQASA-N 0 1 423.513 4.236 20 5 HIBDMN COc1cccc([C@@H]2[C@@H](NC(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)CCN2C2CC2)c1 ZINC000482826600 898435255 /nfs/dbraw/zinc/43/52/55/898435255.db2.gz PIBNXZBOFCSMIL-NZQKXSOJSA-N 0 1 423.513 4.236 20 5 HIBDMN Cc1ccc([C@H](C)NCc2cccc(NC(=O)NCc3ccncc3)c2)cc1[N+](=O)[O-] ZINC000482941093 898563190 /nfs/dbraw/zinc/56/31/90/898563190.db2.gz AOHOEWCQTFNCTN-KRWDZBQOSA-N 0 1 419.485 4.471 20 5 HIBDMN CCc1ccc([C@H]2CN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CCO2)cc1 ZINC000484566662 900037715 /nfs/dbraw/zinc/03/77/15/900037715.db2.gz HHOREBRCDMUZMY-JOCHJYFZSA-N 0 1 407.470 4.428 20 5 HIBDMN CSc1cccc(C(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)c1[N+](=O)[O-] ZINC000486462719 901621726 /nfs/dbraw/zinc/62/17/26/901621726.db2.gz BMQGVAXZAZTZFH-UHFFFAOYSA-N 0 1 423.498 4.122 20 5 HIBDMN CC(C)Cc1ccc(C(=O)C2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)cc1 ZINC000506106416 914805863 /nfs/dbraw/zinc/80/58/63/914805863.db2.gz LLHVNXKTSKIZGO-UHFFFAOYSA-N 0 1 410.470 4.234 20 5 HIBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c(F)c1 ZINC000491138866 904449753 /nfs/dbraw/zinc/44/97/53/904449753.db2.gz QIZQPVDRXLPPCG-OAHLLOKOSA-N 0 1 400.385 4.303 20 5 HIBDMN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(Cl)c1Br ZINC000491604419 904671433 /nfs/dbraw/zinc/67/14/33/904671433.db2.gz MDKDUBBJMSMMBC-UHFFFAOYSA-N 0 1 405.657 4.120 20 5 HIBDMN CCOc1cc(CSc2nc(-c3ccc(OC)cc3OC)n[nH]2)ccc1[N+](=O)[O-] ZINC000492313852 904833793 /nfs/dbraw/zinc/83/37/93/904833793.db2.gz QNXVEKBFVCPIJJ-UHFFFAOYSA-N 0 1 416.459 4.088 20 5 HIBDMN CN(c1ccccc1)c1ccc(CN2CCC(C(=O)N3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000506237700 914858146 /nfs/dbraw/zinc/85/81/46/914858146.db2.gz ZIBKGSGWERLVHL-UHFFFAOYSA-N 0 1 422.529 4.197 20 5 HIBDMN Cc1c(NC(=O)[C@H](C)N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000494492772 905779428 /nfs/dbraw/zinc/77/94/28/905779428.db2.gz MFURASJJRLCNIN-OYYNGEPBSA-N 0 1 421.856 4.143 20 5 HIBDMN COc1cc(CNC[C@@H](OCC2CC2)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1O ZINC000512568593 921242408 /nfs/dbraw/zinc/24/24/08/921242408.db2.gz JBESCIJANWNJGL-HXUWFJFHSA-N 0 1 406.866 4.220 20 5 HIBDMN CCN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@@H](c1ccc(C)cc1)c1cccnc1 ZINC000496512165 906698578 /nfs/dbraw/zinc/69/85/78/906698578.db2.gz DDQDEERGGJESTR-QFIPXVFZSA-N 0 1 415.453 4.426 20 5 HIBDMN COc1cccc([C@H]2[C@H](NC(=O)Nc3cc([N+](=O)[O-])ccc3C)CCN2C2CC2)c1 ZINC000498386711 907873396 /nfs/dbraw/zinc/87/33/96/907873396.db2.gz KCIUNURHVNAQMK-CTNGQTDRSA-N 0 1 410.474 4.011 20 5 HIBDMN Cc1cccc2nc(CNC(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)[nH]c21 ZINC000498619048 908066057 /nfs/dbraw/zinc/06/60/57/908066057.db2.gz OAOUMPZCSUPYQC-UHFFFAOYSA-N 0 1 415.453 4.322 20 5 HIBDMN C[C@@H]1CCN(C)CCN1C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000498719511 908145503 /nfs/dbraw/zinc/14/55/03/908145503.db2.gz FJYXDISUJGUIGU-OAHLLOKOSA-N 0 1 416.909 4.027 20 5 HIBDMN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H]2CCCC[C@@H]12 ZINC000513071790 921526705 /nfs/dbraw/zinc/52/67/05/921526705.db2.gz YZZWKZWLJCQXSY-FLFBIERCSA-N 0 1 417.550 4.287 20 5 HIBDMN COc1cccc(OC)c1Oc1ccc(CNCc2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000513105130 921552948 /nfs/dbraw/zinc/55/29/48/921552948.db2.gz RWHYJYLLQJHGNX-UHFFFAOYSA-N 0 1 409.442 4.398 20 5 HIBDMN O=[N+]([O-])c1ccc(-c2nc(CN[C@]3(Cc4ccc(Cl)cc4)CCOC3)co2)cc1 ZINC000502548139 911553755 /nfs/dbraw/zinc/55/37/55/911553755.db2.gz SXNFLVYFJDLZBS-NRFANRHFSA-N 0 1 413.861 4.395 20 5 HIBDMN CN(CC1CCOCC1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000502553220 911562250 /nfs/dbraw/zinc/56/22/50/911562250.db2.gz LBTNYWLQFZXKHT-FQEVSTJZSA-N 0 1 417.893 4.286 20 5 HIBDMN O=[N+]([O-])c1ccc(-c2nc(CN3CCC[C@H]3c3n[nH]c(-c4ccccc4)n3)co2)cc1 ZINC000503153234 912119292 /nfs/dbraw/zinc/11/92/92/912119292.db2.gz CXENJGVMQDFEMV-IBGZPJMESA-N 0 1 416.441 4.372 20 5 HIBDMN O=[N+]([O-])c1ccc(-c2nc(CN3CCC[C@H]3c3nc(-c4ccccc4)n[nH]3)co2)cc1 ZINC000503153234 912119302 /nfs/dbraw/zinc/11/93/02/912119302.db2.gz CXENJGVMQDFEMV-IBGZPJMESA-N 0 1 416.441 4.372 20 5 HIBDMN COc1ccc(-c2nc(C)c([C@H](C)NC(=O)c3cc(O)cc([N+](=O)[O-])c3)s2)cc1 ZINC000506493851 915100273 /nfs/dbraw/zinc/10/02/73/915100273.db2.gz KAHZZEIYKZXCSR-NSHDSACASA-N 0 1 413.455 4.232 20 5 HIBDMN O=C(N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000507152178 915893609 /nfs/dbraw/zinc/89/36/09/915893609.db2.gz PYTBQWNXSNDKEO-OAQYLSRUSA-N 0 1 411.421 4.472 20 5 HIBDMN O=C(N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000507152177 915893799 /nfs/dbraw/zinc/89/37/99/915893799.db2.gz PYTBQWNXSNDKEO-NRFANRHFSA-N 0 1 411.421 4.472 20 5 HIBDMN COCCSc1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000507481955 916248847 /nfs/dbraw/zinc/24/88/47/916248847.db2.gz DMHHQOQQFQBYRX-LSDHHAIUSA-N 0 1 403.504 4.011 20 5 HIBDMN CCCN(C(=O)c1cc([N+](=O)[O-])ccc1OC)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000509182206 917892070 /nfs/dbraw/zinc/89/20/70/917892070.db2.gz ZAGZWBNBVBSCSA-FQEVSTJZSA-N 0 1 411.502 4.120 20 5 HIBDMN O=C(Nc1ccc(Cl)cn1)C1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000509346948 918013408 /nfs/dbraw/zinc/01/34/08/918013408.db2.gz ZDSOBRJJXNBABR-HYXAFXHYSA-N 0 1 400.866 4.007 20 5 HIBDMN Cc1c(NS(=O)(=O)c2cnc3ccccc3c2)cc(Br)cc1[N+](=O)[O-] ZINC000509378090 918044144 /nfs/dbraw/zinc/04/41/44/918044144.db2.gz JOBCIIIYZHSWOR-UHFFFAOYSA-N 0 1 422.260 4.015 20 5 HIBDMN Cc1nc(C(F)(F)F)ccc1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000509380094 918046018 /nfs/dbraw/zinc/04/60/18/918046018.db2.gz UQFQIEHINHUARW-UHFFFAOYSA-N 0 1 409.773 4.080 20 5 HIBDMN O=C(Nc1cc(Cl)ccc1O)C1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000509528617 918174997 /nfs/dbraw/zinc/17/49/97/918174997.db2.gz SIUCNKQPCJNYPA-HWKANZROSA-N 0 1 415.877 4.318 20 5 HIBDMN Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)N(C)C ZINC000510549958 918995381 /nfs/dbraw/zinc/99/53/81/918995381.db2.gz NILMZUBTRABZOQ-OSPHWJPCSA-N 0 1 413.521 4.411 20 5 HIBDMN COc1ccc(-c2n[nH]c(SCc3cc([N+](=O)[O-])ccc3OC(C)C)n2)cc1 ZINC000511092572 919697293 /nfs/dbraw/zinc/69/72/93/919697293.db2.gz BHSXLUNKKOYUTP-UHFFFAOYSA-N 0 1 400.460 4.468 20 5 HIBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 ZINC000511133002 919748768 /nfs/dbraw/zinc/74/87/68/919748768.db2.gz ZWTHFHQTSSVDGJ-UHFFFAOYSA-N 0 1 403.391 4.030 20 5 HIBDMN Cc1cc(CN2CCSCC2)ccc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000512303588 921058817 /nfs/dbraw/zinc/05/88/17/921058817.db2.gz SZADLMPMUFHIQM-UHFFFAOYSA-N 0 1 417.556 4.183 20 5 HIBDMN COc1ccc([C@H](N[C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])c2nccn2C)cc1 ZINC000513789001 922116667 /nfs/dbraw/zinc/11/66/67/922116667.db2.gz BAUMNPFTOKNASX-JZWVFAODSA-N 0 1 420.513 4.427 20 5 HIBDMN O=C(Nc1c(O)cc(Br)cc1Cl)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000518246672 927106228 /nfs/dbraw/zinc/10/62/28/927106228.db2.gz AKGPDBNKRHSVAN-UHFFFAOYSA-N 0 1 410.611 4.450 20 5 HIBDMN CC1(C)CN(CC2CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)c2cc(C3CC3)ccc21 ZINC000519540338 928010169 /nfs/dbraw/zinc/01/01/69/928010169.db2.gz AZLIIQLVWZXIKW-UHFFFAOYSA-N 0 1 421.497 4.048 20 5 HIBDMN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2cccc(C(F)F)c2)c1 ZINC000521279500 929097395 /nfs/dbraw/zinc/09/73/95/929097395.db2.gz DQPUUILPAMBDEM-UHFFFAOYSA-N 0 1 407.192 4.096 20 5 HIBDMN CCn1nc(C)c(CNCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)c1C ZINC000521831648 929483338 /nfs/dbraw/zinc/48/33/38/929483338.db2.gz DEHNMCQWYFNNGT-UHFFFAOYSA-N 0 1 424.501 4.305 20 5 HIBDMN O=C1[C@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCN1c1ccccc1 ZINC000524687671 929800137 /nfs/dbraw/zinc/80/01/37/929800137.db2.gz ZSJAUGNKJGSTED-HXUWFJFHSA-N 0 1 421.428 4.421 20 5 HIBDMN COc1cc(CN(C[C@@H]2CCCO2)C2CCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000525273767 930125642 /nfs/dbraw/zinc/12/56/42/930125642.db2.gz XSQATBWQJBSWJJ-HNNXBMFYSA-N 0 1 400.422 4.128 20 5 HIBDMN O=C(N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000525626583 930370860 /nfs/dbraw/zinc/37/08/60/930370860.db2.gz PWPDHSVPDAQZNV-QFIPXVFZSA-N 0 1 411.421 4.472 20 5 HIBDMN CCC[C@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000525687840 930404869 /nfs/dbraw/zinc/40/48/69/930404869.db2.gz SKSOZLFAXNNZRZ-ZDUSSCGKSA-N 0 1 404.275 4.116 20 5 HIBDMN Cc1ccc([C@H](C)N[C@@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)cc1[N+](=O)[O-] ZINC000530966078 930870406 /nfs/dbraw/zinc/87/04/06/930870406.db2.gz FWIFWWPJEVFAPG-KBPBESRZSA-N 0 1 407.873 4.393 20 5 HIBDMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000531204494 930964418 /nfs/dbraw/zinc/96/44/18/930964418.db2.gz GEXADSDINOFHIU-NVXWUHKLSA-N 0 1 421.501 4.384 20 5 HIBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000531717625 931172458 /nfs/dbraw/zinc/17/24/58/931172458.db2.gz QAWJANBFRACSHP-QGZVFWFLSA-N 0 1 419.485 4.471 20 5 HIBDMN CCCN(C)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000532974932 931722111 /nfs/dbraw/zinc/72/21/11/931722111.db2.gz AECWETCJJDTPEC-QGZVFWFLSA-N 0 1 406.280 4.379 20 5 HIBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(OC(F)F)cc2)c(C(F)(F)F)c1 ZINC000533327286 931839417 /nfs/dbraw/zinc/83/94/17/931839417.db2.gz JTEFIKJPFMTKRU-UHFFFAOYSA-N 0 1 412.292 4.016 20 5 HIBDMN Cc1c(NC(=O)CCN2CCCC[C@@H]2c2nc3ccccc3n2C)cccc1[N+](=O)[O-] ZINC000533524476 931894470 /nfs/dbraw/zinc/89/44/70/931894470.db2.gz HUHWFPYJDGIDOU-OAQYLSRUSA-N 0 1 421.501 4.346 20 5 HIBDMN CN1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534242207 932360763 /nfs/dbraw/zinc/36/07/63/932360763.db2.gz IILAWEZDOIDQRY-FZKQIMNGSA-N 0 1 406.845 4.202 20 5 HIBDMN Cc1c(CN2CCSCC2)cccc1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000534621136 932602499 /nfs/dbraw/zinc/60/24/99/932602499.db2.gz JSBSSMAYIWDQAT-UHFFFAOYSA-N 0 1 424.526 4.115 20 5 HIBDMN Cc1c(Cl)cc(S(=O)(=O)Nc2ccc3c(c2)nc(C2CC2)n3C)cc1[N+](=O)[O-] ZINC000534793031 932773607 /nfs/dbraw/zinc/77/36/07/932773607.db2.gz RNVGGLJSFQNOPN-UHFFFAOYSA-N 0 1 420.878 4.122 20 5 HIBDMN CCc1ccc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)cc1[N+](=O)[O-] ZINC000537542862 938319540 /nfs/dbraw/zinc/31/95/40/938319540.db2.gz DVBIEUPNWDXFQH-GOSISDBHSA-N 0 1 411.506 4.343 20 5 HIBDMN CCOc1ccc([C@H](C)N[C@H](CC(C)C)C(=O)Nc2nccs2)cc1[N+](=O)[O-] ZINC000537963537 938436526 /nfs/dbraw/zinc/43/65/26/938436526.db2.gz NVVQCSJVGAJPCO-DZGCQCFKSA-N 0 1 406.508 4.154 20 5 HIBDMN CCOc1ccc([C@H](C)N[C@@H](CO)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000537963940 938437384 /nfs/dbraw/zinc/43/73/84/938437384.db2.gz AIDDNACVQCSSPF-LRDDRELGSA-N 0 1 409.280 4.140 20 5 HIBDMN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000538239355 938570415 /nfs/dbraw/zinc/57/04/15/938570415.db2.gz SZCXCAQWERHZBI-GOSISDBHSA-N 0 1 405.495 4.267 20 5 HIBDMN COc1cccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)N(C)C)c1 ZINC000538250159 938574394 /nfs/dbraw/zinc/57/43/94/938574394.db2.gz ZPXWDZVOCKDLKY-IBGZPJMESA-N 0 1 417.531 4.137 20 5 HIBDMN Cc1ccc2nc([C@H]3CCCN3C(=O)CCOc3cc(C)ccc3[N+](=O)[O-])[nH]c2c1 ZINC000538426104 938617535 /nfs/dbraw/zinc/61/75/35/938617535.db2.gz ANGBGTWNUAQNFQ-LJQANCHMSA-N 0 1 408.458 4.221 20 5 HIBDMN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc2oc3ccccc3c2c1 ZINC000538754075 938703240 /nfs/dbraw/zinc/70/32/40/938703240.db2.gz XFSPVTMHRMSYRD-UHFFFAOYSA-N 0 1 412.423 4.441 20 5 HIBDMN CCC[C@@H](NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000539019661 938771171 /nfs/dbraw/zinc/77/11/71/938771171.db2.gz MCYDRZKYGXGVHR-OAQYLSRUSA-N 0 1 417.531 4.010 20 5 HIBDMN Cc1c([C@@H](C)NCc2cc(Br)c3c(c2)OCCO3)cccc1[N+](=O)[O-] ZINC000539039897 938778323 /nfs/dbraw/zinc/77/83/23/938778323.db2.gz HWJRMKSJXROKSZ-GFCCVEGCSA-N 0 1 407.264 4.288 20 5 HIBDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(OCC2CC2)c(F)c1 ZINC000540424582 939243677 /nfs/dbraw/zinc/24/36/77/939243677.db2.gz SGMRKARMGRAAFT-KGLIPLIRSA-N 0 1 401.438 4.201 20 5 HIBDMN O=C(CNC1(c2cccc(C(F)(F)F)c2)CCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000540458181 939259754 /nfs/dbraw/zinc/25/97/54/939259754.db2.gz GLILABKJLKEXNW-UHFFFAOYSA-N 0 1 419.403 4.172 20 5 HIBDMN Cc1ccc([C@@H](C)NCC(=O)NCCc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] ZINC000540478932 939268929 /nfs/dbraw/zinc/26/89/29/939268929.db2.gz RXDKDQNLTASRHX-CYBMUJFWSA-N 0 1 410.301 4.220 20 5 HIBDMN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3nnc(-c4ccccc4)[nH]3)C2)c1 ZINC000540850714 939394096 /nfs/dbraw/zinc/39/40/96/939394096.db2.gz MGVLLKXJSRXDMG-HNNXBMFYSA-N 0 1 423.498 4.122 20 5 HIBDMN CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541696457 939607515 /nfs/dbraw/zinc/60/75/15/939607515.db2.gz JHPPYLCHVHJMCM-HNAYVOBHSA-N 0 1 421.856 4.178 20 5 HIBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@H](c3ccnn3C)C2)cc1OC ZINC000542916956 939877345 /nfs/dbraw/zinc/87/73/45/939877345.db2.gz RDZGAPBESYXSDW-SJORKVTESA-N 0 1 416.522 4.141 20 5 HIBDMN Cc1cc(N2CCC(C(=O)Nc3ccc(O)cc3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000543049085 939909634 /nfs/dbraw/zinc/90/96/34/939909634.db2.gz RLUOAJSGQTXTHB-UHFFFAOYSA-N 0 1 406.442 4.012 20 5 HIBDMN CCN(CC)C(=O)Nc1ccc([C@H](C)NCc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000543428613 940061379 /nfs/dbraw/zinc/06/13/79/940061379.db2.gz ZHQPPGCNCFWHPO-HNNXBMFYSA-N 0 1 400.479 4.328 20 5 HIBDMN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000543494744 940084029 /nfs/dbraw/zinc/08/40/29/940084029.db2.gz CZJFVKHVHGORRN-NSHDSACASA-N 0 1 422.308 4.028 20 5 HIBDMN CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000543560974 940109354 /nfs/dbraw/zinc/10/93/54/940109354.db2.gz ROYHAHAFTDGCMB-OALUTQOASA-N 0 1 412.421 4.136 20 5 HIBDMN Cc1ccc(C(C)C)c(Oc2ccc(CN[C@]3(CO)CCOC3)cc2[N+](=O)[O-])c1 ZINC000543621258 940135800 /nfs/dbraw/zinc/13/58/00/940135800.db2.gz KIIBGJVBIQYJMC-QFIPXVFZSA-N 0 1 400.475 4.060 20 5 HIBDMN Cc1cc(-c2noc(-c3cc(Br)cc([N+](=O)[O-])c3)n2)cc2nc[nH]c21 ZINC000546441487 940820634 /nfs/dbraw/zinc/82/06/34/940820634.db2.gz RHYUOZPNQBGBCO-UHFFFAOYSA-N 0 1 400.192 4.259 20 5 HIBDMN Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)n1 ZINC000547106007 940998343 /nfs/dbraw/zinc/99/83/43/940998343.db2.gz OENFEAXDEDMHBN-IYBDPMFKSA-N 0 1 408.458 4.229 20 5 HIBDMN COc1cc(CN2CC[C@H](c3ccccc3F)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000549814162 941208256 /nfs/dbraw/zinc/20/82/56/941208256.db2.gz XJGSZVRURDZOFR-ZDUSSCGKSA-N 0 1 410.392 4.376 20 5 HIBDMN CCS(=O)(=O)c1ccc([C@@H](C)N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000551814767 941551802 /nfs/dbraw/zinc/55/18/02/941551802.db2.gz VCGUNXSJWFMXPJ-VLIAUNLRSA-N 0 1 402.516 4.462 20 5 HIBDMN COc1ccc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1OC(F)F ZINC000552277980 941621095 /nfs/dbraw/zinc/62/10/95/941621095.db2.gz PQTFGEQVTHBBSQ-UHFFFAOYSA-N 0 1 408.401 4.248 20 5 HIBDMN CC(C)(C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000554952386 942331141 /nfs/dbraw/zinc/33/11/41/942331141.db2.gz OWBAOWKPKQUXAY-HXUWFJFHSA-N 0 1 415.921 4.479 20 5 HIBDMN O=C(Nc1c(O)cc(Br)cc1Cl)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000556847587 942938757 /nfs/dbraw/zinc/93/87/57/942938757.db2.gz SZVPAZYQAJHING-UHFFFAOYSA-N 0 1 410.611 4.450 20 5 HIBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC([C@H](F)c2ccccc2F)CC1 ZINC000557409998 943110690 /nfs/dbraw/zinc/11/06/90/943110690.db2.gz CLBSUEDRKPFVAG-SFHVURJKSA-N 0 1 400.385 4.173 20 5 HIBDMN Cc1ccc(NC(=O)[C@H](NCCOc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000557883567 943320036 /nfs/dbraw/zinc/32/00/36/943320036.db2.gz CCBVBGHCHBGHGQ-JOCHJYFZSA-N 0 1 405.454 4.252 20 5 HIBDMN Cc1cc(C)c(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(OCc2ccccc2)n1 ZINC000558117513 943384451 /nfs/dbraw/zinc/38/44/51/943384451.db2.gz VKZHZNKOTCFRSI-UHFFFAOYSA-N 0 1 421.501 4.219 20 5 HIBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000566878891 946145309 /nfs/dbraw/zinc/14/53/09/946145309.db2.gz YFLNQPIDMMZTOC-INIZCTEOSA-N 0 1 406.442 4.380 20 5 HIBDMN CCN1CCN(c2ccc(Cl)cc2NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000567429121 946336503 /nfs/dbraw/zinc/33/65/03/946336503.db2.gz WVDLFMXERFCYTJ-HNNXBMFYSA-N 0 1 416.909 4.132 20 5 HIBDMN C[C@H](C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000568699586 946666377 /nfs/dbraw/zinc/66/63/77/946666377.db2.gz MTMHGSYGNSWYAJ-SCLBCKFNSA-N 0 1 409.408 4.136 20 5 HIBDMN Cc1ccc2nc([C@H]3CCCN(c4ccc(C(=O)NC5CC5)cc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000571253183 947574153 /nfs/dbraw/zinc/57/41/53/947574153.db2.gz QYISZTGDOBGPOH-INIZCTEOSA-N 0 1 419.485 4.056 20 5 HIBDMN C[C@@H](C(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000575967010 948804261 /nfs/dbraw/zinc/80/42/61/948804261.db2.gz NRHZUUXQKYJOOO-KDOFPFPSSA-N 0 1 421.419 4.108 20 5 HIBDMN COc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)N2CCCCC2)cc1 ZINC000006330317 845191509 /nfs/dbraw/zinc/19/15/09/845191509.db2.gz HQXKPHXKKNGKIC-FQEVSTJZSA-N 0 1 417.893 4.214 20 5 HIBDMN CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436237282 861545785 /nfs/dbraw/zinc/54/57/85/861545785.db2.gz IJCNTKOLCGDDDR-UHFFFAOYSA-N 0 1 417.484 4.024 20 5 HIBDMN Cc1ccc(NC(=O)[C@@H](Sc2nc(C3CC3)n[nH]2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000011470314 845800846 /nfs/dbraw/zinc/80/08/46/845800846.db2.gz ZIIISRPHISXERQ-KRWDZBQOSA-N 0 1 409.471 4.371 20 5 HIBDMN Cc1ccc(C=Cc2n[nH]c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2)o1 ZINC000012839274 845894065 /nfs/dbraw/zinc/89/40/65/845894065.db2.gz KQVSFNTTXJJADC-FNORWQNLSA-N 0 1 419.850 4.169 20 5 HIBDMN C[C@H]1CN(Cc2ccccc2CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000436314019 861618151 /nfs/dbraw/zinc/61/81/51/861618151.db2.gz QSEMDMVSCBRSIM-KBPBESRZSA-N 0 1 424.423 4.230 20 5 HIBDMN COc1ccc(-c2n[nH]c(S[C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)n2)cc1 ZINC000017721206 846265880 /nfs/dbraw/zinc/26/58/80/846265880.db2.gz QLSWJUOTWYBLNV-LLVKDONJSA-N 0 1 424.442 4.292 20 5 HIBDMN Cc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2)cc1 ZINC000021457077 846447375 /nfs/dbraw/zinc/44/73/75/846447375.db2.gz KLRJAMRPXACAAV-LLVKDONJSA-N 0 1 417.878 4.461 20 5 HIBDMN C[C@H](Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000021746115 846490470 /nfs/dbraw/zinc/49/04/70/846490470.db2.gz RSILJXGQNGBWIU-JTQLQIEISA-N 0 1 403.851 4.153 20 5 HIBDMN O=[N+]([O-])c1ccc(NC(=S)N2CCN(Cc3cccc4ccccc43)CC2)cc1 ZINC000023340470 846686608 /nfs/dbraw/zinc/68/66/08/846686608.db2.gz OWRFCCATROXXBM-UHFFFAOYSA-N 0 1 406.511 4.263 20 5 HIBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@H](c2ccccc2)c2ccc(Cl)cc2)c1 ZINC000027209595 847266179 /nfs/dbraw/zinc/26/61/79/847266179.db2.gz PMEOFYRHQLPRQV-RBBKRZOGSA-N 0 1 412.873 4.367 20 5 HIBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@@H](c2ccccc2)c2ccc(Cl)cc2)c1 ZINC000027209589 847266979 /nfs/dbraw/zinc/26/69/79/847266979.db2.gz PMEOFYRHQLPRQV-UNMCSNQZSA-N 0 1 412.873 4.367 20 5 HIBDMN O=C(c1ccccc1)c1ccc(NCCc2cc(-c3ccncc3)[nH]n2)c([N+](=O)[O-])c1 ZINC000436420373 861775409 /nfs/dbraw/zinc/77/54/09/861775409.db2.gz FCBWPUDGPIQANU-UHFFFAOYSA-N 0 1 413.437 4.266 20 5 HIBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000028806970 847464108 /nfs/dbraw/zinc/46/41/08/847464108.db2.gz WMRUBZKHACLACB-UHFFFAOYSA-N 0 1 403.851 4.073 20 5 HIBDMN O=[N+]([O-])c1c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)nc2sccn21 ZINC000029161574 847516803 /nfs/dbraw/zinc/51/68/03/847516803.db2.gz WKHAUIHJRJKENG-UHFFFAOYSA-N 0 1 419.510 4.216 20 5 HIBDMN O=C(NC[C@@H](c1cccs1)N1CCCC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000032761970 848072731 /nfs/dbraw/zinc/07/27/31/848072731.db2.gz AGHGTIDHCBLOGT-HNNXBMFYSA-N 0 1 401.513 4.438 20 5 HIBDMN CCOc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OCC ZINC000043301762 848406317 /nfs/dbraw/zinc/40/63/17/848406317.db2.gz ZABTUUIMARDGDA-HUUCEWRRSA-N 0 1 401.463 4.070 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000043302839 848406631 /nfs/dbraw/zinc/40/66/31/848406631.db2.gz CSIXARBAHHCQIG-NEPJUHHUSA-N 0 1 411.380 4.300 20 5 HIBDMN Cc1c(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000046818073 848941639 /nfs/dbraw/zinc/94/16/39/848941639.db2.gz KIFUJDQAGXMCDW-QWHCGFSZSA-N 0 1 411.380 4.480 20 5 HIBDMN O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C/c1cc(Cl)c(O)cc1Cl ZINC000436775374 861966028 /nfs/dbraw/zinc/96/60/28/861966028.db2.gz WUBPFOUPAOIGQD-UITAMQMPSA-N 0 1 404.209 4.261 20 5 HIBDMN CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132337 849434709 /nfs/dbraw/zinc/43/47/09/849434709.db2.gz ZIBAIEWDGFBXLQ-GHTZIAJQSA-N 0 1 408.458 4.245 20 5 HIBDMN CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133768 849435580 /nfs/dbraw/zinc/43/55/80/849435580.db2.gz DQUFYSHJACKIST-IIBYNOLFSA-N 0 1 417.893 4.286 20 5 HIBDMN CCCOc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000056161822 850264154 /nfs/dbraw/zinc/26/41/54/850264154.db2.gz OFKKFIMKGKQPMO-HOTGVXAUSA-N 0 1 415.490 4.378 20 5 HIBDMN COc1cc([C@@H](C)NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)ccc1OC1CCCC1 ZINC000071960648 852447466 /nfs/dbraw/zinc/44/74/66/852447466.db2.gz AMSCOZXIGHRMPQ-CYBMUJFWSA-N 0 1 424.457 4.292 20 5 HIBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000109484338 852975796 /nfs/dbraw/zinc/97/57/96/852975796.db2.gz IPGGLOFZSGBVQB-OAHLLOKOSA-N 0 1 417.556 4.263 20 5 HIBDMN O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000109531734 852980578 /nfs/dbraw/zinc/98/05/78/852980578.db2.gz YDYXMPGMYZNZGA-GOSISDBHSA-N 0 1 411.355 4.127 20 5 HIBDMN O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000109890198 853029875 /nfs/dbraw/zinc/02/98/75/853029875.db2.gz RBPRSAWVWQADIQ-HXUWFJFHSA-N 0 1 412.877 4.296 20 5 HIBDMN CCOc1ccc(C(=O)Nc2cccc(CN3CCSCC3)c2C)cc1[N+](=O)[O-] ZINC000138954463 853400488 /nfs/dbraw/zinc/40/04/88/853400488.db2.gz GAILCHCVGAEJQQ-UHFFFAOYSA-N 0 1 415.515 4.103 20 5 HIBDMN O=C(CSc1nc(C=Cc2ccccc2)n[nH]1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000207212702 853802199 /nfs/dbraw/zinc/80/21/99/853802199.db2.gz ACPMCHVUUXMIGM-TWGQIWQCSA-N 0 1 415.862 4.268 20 5 HIBDMN COc1cc(CNCCOc2ccccc2-c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000237403345 854024376 /nfs/dbraw/zinc/02/43/76/854024376.db2.gz RQJSHYYORKDBHP-UHFFFAOYSA-N 0 1 408.454 4.448 20 5 HIBDMN COc1ccc(CNCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000237542422 854052505 /nfs/dbraw/zinc/05/25/05/854052505.db2.gz RWSUGOOEPMBLBS-UHFFFAOYSA-N 0 1 415.453 4.141 20 5 HIBDMN C[C@H](NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C(=O)NC(C)(C)C ZINC000237557049 854054525 /nfs/dbraw/zinc/05/45/25/854054525.db2.gz LKDQKCHWQXGWAM-ZDUSSCGKSA-N 0 1 405.882 4.433 20 5 HIBDMN Cc1nn(C)c(C)c1CNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237713324 854080672 /nfs/dbraw/zinc/08/06/72/854080672.db2.gz XFVGHCRQZZFLOA-UHFFFAOYSA-N 0 1 416.485 4.088 20 5 HIBDMN Cc1nn(-c2ccccc2)c(C)c1CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237856431 854109408 /nfs/dbraw/zinc/10/94/08/854109408.db2.gz QCDDRQJDECVTOX-UHFFFAOYSA-N 0 1 416.485 4.088 20 5 HIBDMN Cc1ccc(Sc2ccc(CNCc3cccc(C(N)=O)c3)cc2[N+](=O)[O-])cc1 ZINC000237873292 854112884 /nfs/dbraw/zinc/11/28/84/854112884.db2.gz COZFXTATSJEPSG-UHFFFAOYSA-N 0 1 407.495 4.443 20 5 HIBDMN COc1cc(NC2CCN(Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])cc1OC ZINC000301911153 854490780 /nfs/dbraw/zinc/49/07/80/854490780.db2.gz GLHSHIGTOOIRQP-UHFFFAOYSA-N 0 1 405.882 4.342 20 5 HIBDMN Cc1cc(N[C@H]2CCN(C(=O)CCc3ccccc3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302094722 854530154 /nfs/dbraw/zinc/53/01/54/854530154.db2.gz RJRGZKKLOFQODN-SFHVURJKSA-N 0 1 404.470 4.097 20 5 HIBDMN Cc1cc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302135133 854535066 /nfs/dbraw/zinc/53/50/66/854535066.db2.gz CYBAGARZVLYFQL-OAHLLOKOSA-N 0 1 400.479 4.193 20 5 HIBDMN Cc1cc(N2CCC(NC(=O)NC3CCCCC3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302145357 854537394 /nfs/dbraw/zinc/53/73/94/854537394.db2.gz GLJRZLWYOHWOBQ-UHFFFAOYSA-N 0 1 411.506 4.052 20 5 HIBDMN Cc1cccc(C(=O)N2CCCN(c3cc(C)nc4ccc([N+](=O)[O-])cc43)CC2)c1 ZINC000302199756 854549011 /nfs/dbraw/zinc/54/90/11/854549011.db2.gz USNRBAHLUSKSQM-UHFFFAOYSA-N 0 1 404.470 4.112 20 5 HIBDMN O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000428883068 857387536 /nfs/dbraw/zinc/38/75/36/857387536.db2.gz BNWXUZBDWLPWFM-INIZCTEOSA-N 0 1 406.822 4.154 20 5 HIBDMN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCC[C@H](c1ccccc1)C(F)(F)F ZINC000432272246 859078226 /nfs/dbraw/zinc/07/82/26/859078226.db2.gz VJKKRGSUQNWDRM-GFCCVEGCSA-N 0 1 422.812 4.263 20 5 HIBDMN CC(C)c1[nH]nc(C(=O)N2CCC(c3nc(C(C)(C)C)cs3)CC2)c1[N+](=O)[O-] ZINC000433746885 859871946 /nfs/dbraw/zinc/87/19/46/859871946.db2.gz BSQHLUOCFVWVLV-UHFFFAOYSA-N 0 1 405.524 4.215 20 5 HIBDMN CC(C)c1[nH]nc(C(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)c1[N+](=O)[O-] ZINC000434363907 860313407 /nfs/dbraw/zinc/31/34/07/860313407.db2.gz STZMJZZUUSHLMK-UHFFFAOYSA-N 0 1 405.458 4.308 20 5 HIBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)c2C)o1 ZINC000434435177 860350360 /nfs/dbraw/zinc/35/03/60/860350360.db2.gz QRTBBNWQQBNSIN-UHFFFAOYSA-N 0 1 423.473 4.683 20 5 HIBDMN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)c1nnc[nH]1 ZINC000467763749 881581187 /nfs/dbraw/zinc/58/11/87/881581187.db2.gz VUEIYWLZQCOJQG-SNVBAGLBSA-N 0 1 403.851 4.009 20 5 HIBDMN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC000439165186 864595391 /nfs/dbraw/zinc/59/53/91/864595391.db2.gz JONOSCKIGLCXRG-UHFFFAOYSA-N 0 1 409.627 4.448 20 5 HIBDMN Cc1ccc(NC(=O)[C@H](N[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000439629547 864955117 /nfs/dbraw/zinc/95/51/17/864955117.db2.gz AINXZHULPVOINC-BRKWEVRTSA-N 0 1 423.513 4.376 20 5 HIBDMN C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000468035973 881866426 /nfs/dbraw/zinc/86/64/26/881866426.db2.gz BJFJEDOFMJSSRU-ZDUSSCGKSA-N 0 1 410.301 4.428 20 5 HIBDMN O=[N+]([O-])c1cc(F)c(NCc2n[nH]c(-c3ccc(Br)cc3)n2)c(F)c1 ZINC000440586291 865826320 /nfs/dbraw/zinc/82/63/20/865826320.db2.gz CTIOIPWSKDFLRO-UHFFFAOYSA-N 0 1 410.178 4.033 20 5 HIBDMN O=[N+]([O-])c1cc(F)c(NCc2nc(-c3ccc(Br)cc3)n[nH]2)c(F)c1 ZINC000440586291 865826322 /nfs/dbraw/zinc/82/63/22/865826322.db2.gz CTIOIPWSKDFLRO-UHFFFAOYSA-N 0 1 410.178 4.033 20 5 HIBDMN C[C@@H](OC[C@@H](O)CN(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(Cl)cc1 ZINC000441257025 866331134 /nfs/dbraw/zinc/33/11/34/866331134.db2.gz ANMSANZZOVISGC-QRWLVFNGSA-N 0 1 404.894 4.351 20 5 HIBDMN Cc1c(NC(=O)[C@H](C)N[C@H](C)c2ccc(Br)s2)cccc1[N+](=O)[O-] ZINC000442727530 867650652 /nfs/dbraw/zinc/65/06/52/867650652.db2.gz FWIZHVSCEKTYMV-MNOVXSKESA-N 0 1 412.309 4.405 20 5 HIBDMN CO[C@H](C)c1nc(CN2CCCN([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)cs1 ZINC000468238935 882135480 /nfs/dbraw/zinc/13/54/80/882135480.db2.gz ZLYCCUSPIKPVRX-JKSUJKDBSA-N 0 1 404.536 4.028 20 5 HIBDMN Cc1cc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000443589581 868144456 /nfs/dbraw/zinc/14/44/56/868144456.db2.gz GTABCMJLSWOWPJ-KRWDZBQOSA-N 0 1 424.892 4.095 20 5 HIBDMN Cc1cc(Br)cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)c1 ZINC000444053678 868594129 /nfs/dbraw/zinc/59/41/29/868594129.db2.gz CGMUTHWSDHRNIW-UHFFFAOYSA-N 0 1 422.260 4.015 20 5 HIBDMN CC(=O)c1ccc(O)c(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c1 ZINC000444292361 868721702 /nfs/dbraw/zinc/72/17/02/868721702.db2.gz VAKHUVZWYHLUJI-UHFFFAOYSA-N 0 1 408.360 4.120 20 5 HIBDMN CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444628389 868919493 /nfs/dbraw/zinc/91/94/93/868919493.db2.gz STGBMGZWRBYMPB-UHFFFAOYSA-N 0 1 408.437 4.065 20 5 HIBDMN C[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cccc(OCc2ccccc2)c1 ZINC000444712687 868969917 /nfs/dbraw/zinc/96/99/17/868969917.db2.gz WRZGEDJGXNAOHH-SFHVURJKSA-N 0 1 419.481 4.487 20 5 HIBDMN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000445177248 869260471 /nfs/dbraw/zinc/26/04/71/869260471.db2.gz GNWYDPPYKXSMDX-IEBWSBKVSA-N 0 1 411.505 4.247 20 5 HIBDMN O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000445831804 869850681 /nfs/dbraw/zinc/85/06/81/869850681.db2.gz HKVPPYIYQSKJLH-FQEVSTJZSA-N 0 1 401.894 4.134 20 5 HIBDMN O=[N+]([O-])c1ccc(CNC2(c3cccc(OC(F)(F)F)c3)CCOCC2)c(F)c1 ZINC000446837604 870754844 /nfs/dbraw/zinc/75/48/44/870754844.db2.gz YMTUFRBZIQKYBP-UHFFFAOYSA-N 0 1 414.355 4.428 20 5 HIBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(OCC3CC3)cc2)c(C(F)(F)F)c1 ZINC000447005236 870887028 /nfs/dbraw/zinc/88/70/28/870887028.db2.gz FWJLHFGPAYCZMZ-UHFFFAOYSA-N 0 1 416.377 4.203 20 5 HIBDMN C[C@@H](NCc1cnn(-c2ccc(Br)cc2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000447031812 870906960 /nfs/dbraw/zinc/90/69/60/870906960.db2.gz UAGQJJYISMMJGQ-CYBMUJFWSA-N 0 1 401.264 4.394 20 5 HIBDMN CN1CCO[C@H]([C@@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c2ccc(Cl)cc2)C1 ZINC000447585994 871494257 /nfs/dbraw/zinc/49/42/57/871494257.db2.gz MDYHRBWYVZQMFA-FKBYEOEOSA-N 0 1 415.921 4.287 20 5 HIBDMN C[C@@H](CCc1ccccc1[N+](=O)[O-])NCc1csc(CNC(=O)c2ccccc2)n1 ZINC000468560162 882614542 /nfs/dbraw/zinc/61/45/42/882614542.db2.gz MCLVKQGXMSPHQM-INIZCTEOSA-N 0 1 424.526 4.092 20 5 HIBDMN CN(C)[C@H]1CCOc2c(NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)cccc21 ZINC000468755822 882844910 /nfs/dbraw/zinc/84/49/10/882844910.db2.gz AKDFVRGMLRQCPH-INIZCTEOSA-N 0 1 409.364 4.251 20 5 HIBDMN O=C(N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000468769316 882851736 /nfs/dbraw/zinc/85/17/36/882851736.db2.gz AOBNJAVDARYNHD-MRXNPFEDSA-N 0 1 413.430 4.370 20 5 HIBDMN Cc1ccc(CCN(Cc2ccco2)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)cc1 ZINC000461741964 874886215 /nfs/dbraw/zinc/88/62/15/874886215.db2.gz UJYCWFVXVGHSJJ-UHFFFAOYSA-N 0 1 404.426 4.258 20 5 HIBDMN Cc1nc(C(C)(C)NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])sc1C ZINC000462351923 875466078 /nfs/dbraw/zinc/46/60/78/875466078.db2.gz YXZAOCVITDFNJQ-UHFFFAOYSA-N 0 1 424.331 4.189 20 5 HIBDMN O=C1C[C@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CN1[C@@H]1C[C@@H]1c1ccccc1 ZINC000462755172 875819698 /nfs/dbraw/zinc/81/96/98/875819698.db2.gz LBNYPWAXJLZXOY-UCNVEGJOSA-N 0 1 417.465 4.101 20 5 HIBDMN O=C(NC[C@H]1CCCCN1Cc1ccccc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463520744 876588293 /nfs/dbraw/zinc/58/82/93/876588293.db2.gz VYRAYHJQPFXXQN-QGZVFWFLSA-N 0 1 421.419 4.398 20 5 HIBDMN CC(C)(C)Oc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cc1 ZINC000463788333 876907770 /nfs/dbraw/zinc/90/77/70/876907770.db2.gz FOJLHLYCSURJLI-UHFFFAOYSA-N 0 1 401.444 4.121 20 5 HIBDMN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1nc2ccc(Br)cc2[nH]1 ZINC000464557698 877775231 /nfs/dbraw/zinc/77/52/31/877775231.db2.gz XLWIUFAKTOFVTD-UHFFFAOYSA-N 0 1 409.627 4.068 20 5 HIBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC000464581029 877804632 /nfs/dbraw/zinc/80/46/32/877804632.db2.gz MBOQERHHLQDDOX-VIFPVBQESA-N 0 1 421.276 4.353 20 5 HIBDMN CCN(CC)[C@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000464646780 877866147 /nfs/dbraw/zinc/86/61/47/877866147.db2.gz ZEIVSFOAYZPPHX-QFIPXVFZSA-N 0 1 411.502 4.048 20 5 HIBDMN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC3(C2)CCOCC3)c([N+](=O)[O-])c1 ZINC000464824836 878078082 /nfs/dbraw/zinc/07/80/82/878078082.db2.gz BLRGHXFKHFTSGT-NRFANRHFSA-N 0 1 409.486 4.086 20 5 HIBDMN CN(C[C@H]1CCCOC1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000467140687 880883268 /nfs/dbraw/zinc/88/32/68/880883268.db2.gz ZBEYYJYRWZCJLN-FOIQADDNSA-N 0 1 417.893 4.286 20 5 HIBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000469455471 883662637 /nfs/dbraw/zinc/66/26/37/883662637.db2.gz VSAGBSAHWZZOPS-QGZVFWFLSA-N 0 1 410.396 4.346 20 5 HIBDMN CN(C)[C@@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)c1cccc(C(F)(F)F)c1 ZINC000470601608 885027595 /nfs/dbraw/zinc/02/75/95/885027595.db2.gz PWALXVWNQLDSAR-SFHVURJKSA-N 0 1 420.391 4.128 20 5 HIBDMN COCCSc1ccc([C@@H](C)NCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000504030408 912931880 /nfs/dbraw/zinc/93/18/80/912931880.db2.gz JUCQGUJIPYDWKP-CQSZACIVSA-N 0 1 404.488 4.051 20 5 HIBDMN Cc1ccc([C@@H](NCCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c2ccccn2)cc1 ZINC000471082682 885608853 /nfs/dbraw/zinc/60/88/53/885608853.db2.gz YIWGLICMQFTMSQ-HSZRJFAPSA-N 0 1 404.470 4.314 20 5 HIBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000472638534 887502606 /nfs/dbraw/zinc/50/26/06/887502606.db2.gz QBSDAVZIPSUTLL-HSZRJFAPSA-N 0 1 409.486 4.202 20 5 HIBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000472638534 887502621 /nfs/dbraw/zinc/50/26/21/887502621.db2.gz QBSDAVZIPSUTLL-HSZRJFAPSA-N 0 1 409.486 4.202 20 5 HIBDMN COc1ccc(-c2n[nH]c(Sc3ncc(C)cc3[N+](=O)[O-])n2)cc1Br ZINC000473715827 888492107 /nfs/dbraw/zinc/49/21/07/888492107.db2.gz GLPNVVAJLCQUSW-UHFFFAOYSA-N 0 1 422.264 4.006 20 5 HIBDMN O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(-c2nnc[nH]2)cc1 ZINC000474136543 888957760 /nfs/dbraw/zinc/95/77/60/888957760.db2.gz VUYFSMNKVREORC-UHFFFAOYSA-N 0 1 401.382 4.425 20 5 HIBDMN COC(=O)COc1ccc(CN[C@H](C)c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000474366182 889243582 /nfs/dbraw/zinc/24/35/82/889243582.db2.gz AJJUUPYQUYTHMR-GFCCVEGCSA-N 0 1 412.364 4.016 20 5 HIBDMN C[C@H]1CN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[C@]2(CCOC2)O1 ZINC000475627342 890565219 /nfs/dbraw/zinc/56/52/19/890565219.db2.gz QVNXCLAKLQMCQL-BTYIYWSLSA-N 0 1 418.877 4.420 20 5 HIBDMN CCOc1ccc([C@H](C)NCc2ccc(C)cc2O[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000504920038 913656412 /nfs/dbraw/zinc/65/64/12/913656412.db2.gz MLNMTAULUSHTIP-LPHOPBHVSA-N 0 1 400.475 4.320 20 5 HIBDMN O=[N+]([O-])c1ccc(CN[C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)c(F)c1 ZINC000478248235 893419335 /nfs/dbraw/zinc/41/93/35/893419335.db2.gz AUWPOCNSGSWQCG-LBPRGKRZSA-N 0 1 418.778 4.170 20 5 HIBDMN O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000478265140 893453533 /nfs/dbraw/zinc/45/35/33/893453533.db2.gz ZLNZPWUUBGHIPP-HXUWFJFHSA-N 0 1 416.909 4.004 20 5 HIBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCSC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000478590416 893863159 /nfs/dbraw/zinc/86/31/59/893863159.db2.gz FWUUKKTWQYHTEQ-INIZCTEOSA-N 0 1 412.389 4.250 20 5 HIBDMN COc1cc(CSc2nc(Cc3ccccc3)n[nH]2)c([N+](=O)[O-])cc1OC(F)F ZINC000478741926 894018309 /nfs/dbraw/zinc/01/83/09/894018309.db2.gz VZENCCGXXKLBQR-UHFFFAOYSA-N 0 1 422.413 4.206 20 5 HIBDMN CCC[C@H](NCc1cccc(NC(=O)Cn2cccn2)c1)c1cccc([N+](=O)[O-])c1 ZINC000480901759 896257798 /nfs/dbraw/zinc/25/77/98/896257798.db2.gz QZPMDNVFIUILTJ-NRFANRHFSA-N 0 1 407.474 4.061 20 5 HIBDMN Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)C[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000481516979 896884388 /nfs/dbraw/zinc/88/43/88/896884388.db2.gz OIXQVUGXDRCVCY-BWAGFHJFSA-N 0 1 411.502 4.066 20 5 HIBDMN O=C(CN[C@H](c1cc(F)cc(Br)c1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000481720404 897114234 /nfs/dbraw/zinc/11/42/34/897114234.db2.gz FXBOOXHOSCVLBP-SFHVURJKSA-N 0 1 422.254 4.176 20 5 HIBDMN Cc1c([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000482534673 898120811 /nfs/dbraw/zinc/12/08/11/898120811.db2.gz JUFCDYBTENLLPE-SJORKVTESA-N 0 1 400.498 4.206 20 5 HIBDMN Cc1cc(Br)c(O)c(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1 ZINC000482678234 898280197 /nfs/dbraw/zinc/28/01/97/898280197.db2.gz WGXDIMOOOVPOLZ-UHFFFAOYSA-N 0 1 402.204 4.172 20 5 HIBDMN CO[C@@]1(C)CCCN([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000483037883 898704825 /nfs/dbraw/zinc/70/48/25/898704825.db2.gz FGJJLQKKJDBDPA-GGAORHGYSA-N 0 1 411.502 4.474 20 5 HIBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000505752983 914426082 /nfs/dbraw/zinc/42/60/82/914426082.db2.gz MHXZMNXRAWOFFO-UHFFFAOYSA-N 0 1 409.211 4.007 20 5 HIBDMN CSc1cccc(C(=O)Nc2nc3ccc(Br)cc3[nH]2)c1[N+](=O)[O-] ZINC000486432449 901591402 /nfs/dbraw/zinc/59/14/02/901591402.db2.gz IGSKYGVWFGPHAM-UHFFFAOYSA-N 0 1 407.249 4.208 20 5 HIBDMN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](NCCc1cscn1)c1ccccc1 ZINC000486749613 901828187 /nfs/dbraw/zinc/82/81/87/901828187.db2.gz XNOXGHXJWHRGKC-SFHVURJKSA-N 0 1 416.890 4.217 20 5 HIBDMN O=[N+]([O-])c1cccc(F)c1CN1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000486825841 901878603 /nfs/dbraw/zinc/87/86/03/901878603.db2.gz OTNVIRNWCZHFGB-OPAMFIHVSA-N 0 1 408.433 4.338 20 5 HIBDMN COc1ccc(-c2n[nH]cc2CNCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000487166646 902083016 /nfs/dbraw/zinc/08/30/16/902083016.db2.gz PTXXMRVDUHLBDY-UHFFFAOYSA-N 0 1 406.364 4.302 20 5 HIBDMN Cc1ccc([C@@H](CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)N2CCCC2)o1 ZINC000487946855 902475952 /nfs/dbraw/zinc/47/59/52/902475952.db2.gz ODRGXQKCCODWGH-HXUWFJFHSA-N 0 1 412.490 4.007 20 5 HIBDMN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(Cc2ccc([N+](=O)[O-])c(OC)c2)[C@H]2CCCC[C@@H]12 ZINC000490005089 903720847 /nfs/dbraw/zinc/72/08/47/903720847.db2.gz OLRBUACCAGBVCM-HNULKUCHSA-N 0 1 417.550 4.287 20 5 HIBDMN CCS[C@@H]1CC[C@H](N(C)Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000490342798 903936254 /nfs/dbraw/zinc/93/62/54/903936254.db2.gz VOPJFRRTFNDWFS-UONOGXRCSA-N 0 1 404.479 4.353 20 5 HIBDMN C[C@H](Sc1ccccc1Cl)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000490367897 903958873 /nfs/dbraw/zinc/95/88/73/903958873.db2.gz MRBYQAJIOJVBNK-JTQLQIEISA-N 0 1 403.851 4.153 20 5 HIBDMN COc1ccc(-c2cc3[nH]c(Cc4cc(OC)ccc4[N+](=O)[O-])nc(=O)c3s2)cc1 ZINC000491585793 904661824 /nfs/dbraw/zinc/66/18/24/904661824.db2.gz HILMSDDBVFBSBD-UHFFFAOYSA-N 0 1 423.450 4.168 20 5 HIBDMN COc1ccc([C@H](C)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1NC(C)=O ZINC000494483143 905765531 /nfs/dbraw/zinc/76/55/31/905765531.db2.gz HRCKIXORUMIUQS-NSHDSACASA-N 0 1 411.380 4.431 20 5 HIBDMN COc1ccc(CNCc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)cc1[N+](=O)[O-] ZINC000494575288 905843849 /nfs/dbraw/zinc/84/38/49/905843849.db2.gz BVPHHNGAGQIDFF-UHFFFAOYSA-N 0 1 420.391 4.157 20 5 HIBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(Cl)c(Br)c1 ZINC000512803914 921314574 /nfs/dbraw/zinc/31/45/74/921314574.db2.gz DSLFYUAMENMNHA-UHFFFAOYSA-N 0 1 422.626 4.048 20 5 HIBDMN COc1cccc([C@@H]2[C@@H](NC(=O)Nc3cc([N+](=O)[O-])ccc3C)CCN2C2CC2)c1 ZINC000498386713 907873643 /nfs/dbraw/zinc/87/36/43/907873643.db2.gz KCIUNURHVNAQMK-PZJWPPBQSA-N 0 1 410.474 4.011 20 5 HIBDMN COc1cccc([C@@H]2[C@H](NC(=O)Nc3cccc([N+](=O)[O-])c3C)CCN2C2CC2)c1 ZINC000498559364 908018895 /nfs/dbraw/zinc/01/88/95/908018895.db2.gz IIMQDAQTGNBJAN-TZIWHRDSSA-N 0 1 410.474 4.011 20 5 HIBDMN COc1cccc([C@H]2[C@@H](NC(=O)Nc3cccc([N+](=O)[O-])c3C)CCN2C2CC2)c1 ZINC000498559362 908019911 /nfs/dbraw/zinc/01/99/11/908019911.db2.gz IIMQDAQTGNBJAN-FPOVZHCZSA-N 0 1 410.474 4.011 20 5 HIBDMN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(Cl)cc1Br ZINC000500490354 909887735 /nfs/dbraw/zinc/88/77/35/909887735.db2.gz RSXSABZEJUETSV-UHFFFAOYSA-N 0 1 405.657 4.120 20 5 HIBDMN 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/nfs/dbraw/zinc/92/02/94/853920294.db2.gz VPQWAWZWIRUKDX-UHFFFAOYSA-N 0 1 407.474 4.024 20 5 HIBDMN CCCC[C@H](NCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000236880241 853931871 /nfs/dbraw/zinc/93/18/71/853931871.db2.gz VQGJIRHQZCQSSR-QFIPXVFZSA-N 0 1 410.518 4.482 20 5 HIBDMN COc1cc(CN[C@@H]2CCCc3c2cnn3C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237350016 854010396 /nfs/dbraw/zinc/01/03/96/854010396.db2.gz VMXKLPHDBDFDON-HXUWFJFHSA-N 0 1 422.485 4.083 20 5 HIBDMN C[C@@H]1CN(Cc2ccccc2CNc2ccc([N+](=O)[O-])c3cnccc23)C[C@@H](C)O1 ZINC000301106930 854297778 /nfs/dbraw/zinc/29/77/78/854297778.db2.gz PYVGICOOFFNNAC-IAGOWNOFSA-N 0 1 406.486 4.364 20 5 HIBDMN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)cc1OC ZINC000303081688 854752723 /nfs/dbraw/zinc/75/27/23/854752723.db2.gz DNGVYFLRSYBBOD-UHFFFAOYSA-N 0 1 410.430 4.398 20 5 HIBDMN CCCc1[nH]nc(C(=O)N2CCC(c3c[nH]c4c3cccc4CC)CC2)c1[N+](=O)[O-] ZINC000303318804 854870255 /nfs/dbraw/zinc/87/02/55/854870255.db2.gz AOEFTSQJDPMOBG-UHFFFAOYSA-N 0 1 409.490 4.334 20 5 HIBDMN COc1ccc(OCCSc2nc(-c3ccc(Cl)cc3)n[nH]2)c([N+](=O)[O-])c1 ZINC000303958917 855321459 /nfs/dbraw/zinc/32/14/59/855321459.db2.gz YPNXQBWLYCTERD-UHFFFAOYSA-N 0 1 406.851 4.213 20 5 HIBDMN CCOc1c(Br)cc(CNCc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000327579262 855418146 /nfs/dbraw/zinc/41/81/46/855418146.db2.gz DGQRRQNUFQPRPT-UHFFFAOYSA-N 0 1 409.280 4.363 20 5 HIBDMN C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000409656735 855587922 /nfs/dbraw/zinc/58/79/22/855587922.db2.gz KPKADGGPHWSUTR-SNVBAGLBSA-N 0 1 405.336 4.141 20 5 HIBDMN Cc1cc(S(=O)(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)ccc1[N+](=O)[O-] ZINC000425981351 856030011 /nfs/dbraw/zinc/03/00/11/856030011.db2.gz NLTKXIAKZAQMJL-UHFFFAOYSA-N 0 1 417.487 4.223 20 5 HIBDMN C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000427906258 857001469 /nfs/dbraw/zinc/00/14/69/857001469.db2.gz ZONIMJBTSAKNGV-AWEZNQCLSA-N 0 1 420.425 4.435 20 5 HIBDMN C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000427906261 857001728 /nfs/dbraw/zinc/00/17/28/857001728.db2.gz ZONIMJBTSAKNGV-CQSZACIVSA-N 0 1 420.425 4.435 20 5 HIBDMN O=[N+]([O-])c1cccc(-c2nc(CNC[C@]3(CO)C[C@H]3c3ccc(F)cc3)cs2)c1 ZINC000428538280 857251038 /nfs/dbraw/zinc/25/10/38/857251038.db2.gz PSNXFXHPXPUMRB-FPOVZHCZSA-N 0 1 413.474 4.113 20 5 HIBDMN O=[N+]([O-])c1cccc(-c2nc(CNC[C@@]3(CO)C[C@@H]3c3ccc(F)cc3)cs2)c1 ZINC000428538282 857251427 /nfs/dbraw/zinc/25/14/27/857251427.db2.gz PSNXFXHPXPUMRB-TZIWHRDSSA-N 0 1 413.474 4.113 20 5 HIBDMN O=C(C[C@H]1CCCCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000432330328 859105621 /nfs/dbraw/zinc/10/56/21/859105621.db2.gz ZWNSRWJKWUTKTK-MRXNPFEDSA-N 0 1 406.442 4.129 20 5 HIBDMN CC1(C)C[C@@H](NCc2ccc(S(C)(=O)=O)c(Cl)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433080801 859514891 /nfs/dbraw/zinc/51/48/91/859514891.db2.gz DUNPGRPVUYQZAW-QGZVFWFLSA-N 0 1 408.907 4.164 20 5 HIBDMN CC1(C)C[C@@H](NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433168081 859550747 /nfs/dbraw/zinc/55/07/47/859550747.db2.gz QGCACTVPSFXKTJ-RTWAWAEBSA-N 0 1 409.486 4.225 20 5 HIBDMN CC(C)c1[nH]nc(C(=O)Nc2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)c1[N+](=O)[O-] ZINC000433750772 859874703 /nfs/dbraw/zinc/87/47/03/859874703.db2.gz IYHHZPKSMRFRDO-UHFFFAOYSA-N 0 1 408.393 4.376 20 5 HIBDMN Cc1nc2ccc(NC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)cc2[nH]1 ZINC000435923915 861184115 /nfs/dbraw/zinc/18/41/15/861184115.db2.gz SPJRMJVVAQTFLG-UHFFFAOYSA-N 0 1 404.376 4.397 20 5 HIBDMN CCCc1[nH]nc(C(=O)N2CCC(c3cccc(Br)c3)CC2)c1[N+](=O)[O-] ZINC000467842258 881683411 /nfs/dbraw/zinc/68/34/11/881683411.db2.gz XQXJLCVBMZGPKO-UHFFFAOYSA-N 0 1 421.295 4.053 20 5 HIBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1cc(F)c(F)cc1F ZINC000438773505 864268319 /nfs/dbraw/zinc/26/83/19/864268319.db2.gz SRGVXEVXQVRZRC-UHFFFAOYSA-N 0 1 401.149 4.120 20 5 HIBDMN CO[C@@H]1C[C@H](N[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1(C)C ZINC000439510079 864857773 /nfs/dbraw/zinc/85/77/73/864857773.db2.gz FWIDPTQBEAELLW-IPMKNSEASA-N 0 1 417.893 4.331 20 5 HIBDMN CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000439559147 864884662 /nfs/dbraw/zinc/88/46/62/864884662.db2.gz BPNFUNRQRPMWMZ-OLZOCXBDSA-N 0 1 419.503 4.073 20 5 HIBDMN COc1ccc(NC(=O)[C@@H](NCCc2ccccc2[N+](=O)[O-])c2ccccc2)cc1 ZINC000467973536 881829632 /nfs/dbraw/zinc/82/96/32/881829632.db2.gz NSHKVEFDFJXNOU-QFIPXVFZSA-N 0 1 405.454 4.116 20 5 HIBDMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000439764063 865088997 /nfs/dbraw/zinc/08/89/97/865088997.db2.gz BNLXIKXDXYRLTI-MRXNPFEDSA-N 0 1 410.518 4.243 20 5 HIBDMN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000440733231 865880471 /nfs/dbraw/zinc/88/04/71/865880471.db2.gz OSQLBDXSFLWOPB-KRWDZBQOSA-N 0 1 414.849 4.257 20 5 HIBDMN CN(C)Cc1ccnc(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])c1 ZINC000441074879 866167046 /nfs/dbraw/zinc/16/70/46/866167046.db2.gz ZGVHCGDWWHSJPK-UHFFFAOYSA-N 0 1 408.483 4.455 20 5 HIBDMN C[C@@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000441266096 866340946 /nfs/dbraw/zinc/34/09/46/866340946.db2.gz UKIPWWWNEVZQQX-XIKOKIGWSA-N 0 1 407.392 4.296 20 5 HIBDMN O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000441268811 866343973 /nfs/dbraw/zinc/34/39/73/866343973.db2.gz XZHSKNSSCSOJNH-SFHVURJKSA-N 0 1 413.865 4.214 20 5 HIBDMN CC(C)(CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)CC(=O)c1ccccc1 ZINC000443323730 867904200 /nfs/dbraw/zinc/90/42/00/867904200.db2.gz RXHCJYWYEBSGCW-UHFFFAOYSA-N 0 1 407.430 4.008 20 5 HIBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](COCc2ccccc2)C1 ZINC000444177338 868650709 /nfs/dbraw/zinc/65/07/09/868650709.db2.gz UZYJEEGTGNGAMF-FUHWJXTLSA-N 0 1 408.458 4.245 20 5 HIBDMN C[C@@H]1C[C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CN1Cc1ccccc1 ZINC000444222766 868674455 /nfs/dbraw/zinc/67/44/55/868674455.db2.gz GKTBDKFBHCWMPW-XLIONFOSSA-N 0 1 411.505 4.074 20 5 HIBDMN CCc1[nH]nc(C(=O)N(CC)[C@@H](c2ccc(Cl)cc2)c2ccccn2)c1[N+](=O)[O-] ZINC000444268721 868706454 /nfs/dbraw/zinc/70/64/54/868706454.db2.gz OJFSXIUBLIWAJW-SFHVURJKSA-N 0 1 413.865 4.180 20 5 HIBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000446484293 870398012 /nfs/dbraw/zinc/39/80/12/870398012.db2.gz HUUHBEMEFZAELD-MRXNPFEDSA-N 0 1 406.446 4.100 20 5 HIBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000447069273 870948894 /nfs/dbraw/zinc/94/88/94/870948894.db2.gz OYPYAPBWGINSQP-UHFFFAOYSA-N 0 1 406.461 4.113 20 5 HIBDMN CC[C@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1OCC(=O)N(C)C ZINC000447528936 871392890 /nfs/dbraw/zinc/39/28/90/871392890.db2.gz KAQYHPYTRIXFMI-SFTDATJTSA-N 0 1 411.502 4.180 20 5 HIBDMN C[C@@H]1CN(Cc2ccc(C[NH2+][C@H]3CCCc4ccc([N+](=O)[O-])cc43)cc2)C[C@H](C)O1 ZINC000447540089 871406537 /nfs/dbraw/zinc/40/65/37/871406537.db2.gz ISFXFSWRICEBKC-RHGYRFJNSA-N 0 1 409.530 4.371 20 5 HIBDMN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NC[C@H](c1ccco1)N1CCCC1 ZINC000447674182 871605958 /nfs/dbraw/zinc/60/59/58/871605958.db2.gz ABBWMBKOVDIVAE-CYBMUJFWSA-N 0 1 420.338 4.486 20 5 HIBDMN CN(C)[C@H]1CCOc2c(NC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])cccc21 ZINC000447723274 871668142 /nfs/dbraw/zinc/66/81/42/871668142.db2.gz OARPNACFSXYFMA-HNNXBMFYSA-N 0 1 421.906 4.364 20 5 HIBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc2c1OCC[C@H]2N(C)C ZINC000447728534 871677288 /nfs/dbraw/zinc/67/72/88/871677288.db2.gz LVGCKMWGEDMQMF-QGZVFWFLSA-N 0 1 401.488 4.344 20 5 HIBDMN C[C@@H](c1c(F)cccc1F)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000460347786 872966035 /nfs/dbraw/zinc/96/60/35/872966035.db2.gz CKWWXWJODMVNNG-ZDUSSCGKSA-N 0 1 401.417 4.023 20 5 HIBDMN Cc1cccc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1Br ZINC000468592331 882680106 /nfs/dbraw/zinc/68/01/06/882680106.db2.gz USYBXYHTYODOKB-UHFFFAOYSA-N 0 1 415.291 4.356 20 5 HIBDMN CCOC(=O)c1csc(CCN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)n1 ZINC000468841068 882885808 /nfs/dbraw/zinc/88/58/08/882885808.db2.gz CZYNOMUGTSWDMZ-HXUWFJFHSA-N 0 1 411.483 4.150 20 5 HIBDMN Cc1cc(S(=O)(=O)Nc2cccc3c2CN([C@H](C)C(C)C)C3)ccc1[N+](=O)[O-] ZINC000462352445 875466501 /nfs/dbraw/zinc/46/65/01/875466501.db2.gz NJQDWFYPLHGXJI-OAHLLOKOSA-N 0 1 403.504 4.064 20 5 HIBDMN Cc1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000462365364 875478411 /nfs/dbraw/zinc/47/84/11/875478411.db2.gz DDUZQQWYSLDTOQ-UHFFFAOYSA-N 0 1 411.361 4.271 20 5 HIBDMN C[C@@H]1C[C@H]1N1C[C@H](NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1=O ZINC000462752662 875818167 /nfs/dbraw/zinc/81/81/67/875818167.db2.gz BJEVTPCUDVZUMJ-FRFSOERESA-N 0 1 415.877 4.139 20 5 HIBDMN O=C1C[C@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CN1[C@H]1C[C@@H]1c1ccccc1 ZINC000462755173 875819294 /nfs/dbraw/zinc/81/92/94/875819294.db2.gz LBNYPWAXJLZXOY-WEYGHZABSA-N 0 1 417.465 4.101 20 5 HIBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463441113 876498852 /nfs/dbraw/zinc/49/88/52/876498852.db2.gz HXPFRIKWYZJFHJ-UZUQRXQVSA-N 0 1 422.485 4.023 20 5 HIBDMN COc1cc(S(=O)(=O)Nc2ccc3nc(C(C)C)sc3c2)ccc1[N+](=O)[O-] ZINC000469008912 883075513 /nfs/dbraw/zinc/07/55/13/883075513.db2.gz QRJMUPCRLJMDSY-UHFFFAOYSA-N 0 1 407.473 4.137 20 5 HIBDMN CN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470815034 885303367 /nfs/dbraw/zinc/30/33/67/885303367.db2.gz XOPRQJLIDHNTQG-QGZVFWFLSA-N 0 1 421.419 4.350 20 5 HIBDMN COC(=O)COc1ccc(CN[C@@H](C)c2ccc(-c3ccncc3)cc2)cc1[N+](=O)[O-] ZINC000474370687 889248892 /nfs/dbraw/zinc/24/88/92/889248892.db2.gz WDRHDPYUKWCGPN-INIZCTEOSA-N 0 1 421.453 4.059 20 5 HIBDMN CN(C)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccsc1 ZINC000475200965 890069515 /nfs/dbraw/zinc/06/95/15/890069515.db2.gz CQOUHINGEMVCQT-AWEZNQCLSA-N 0 1 402.398 4.100 20 5 HIBDMN CN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475304730 890214327 /nfs/dbraw/zinc/21/43/27/890214327.db2.gz RIEFKLFCHLGFPL-IBGZPJMESA-N 0 1 422.510 4.065 20 5 HIBDMN COc1cccc([C@H](CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)N2CCCC2)c1 ZINC000475580033 890509795 /nfs/dbraw/zinc/50/97/95/890509795.db2.gz CNSVZHUOJBTKTB-NRFANRHFSA-N 0 1 412.490 4.179 20 5 HIBDMN COc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2cc3cccc(F)c3o2)c([N+](=O)[O-])c1 ZINC000475692104 890632313 /nfs/dbraw/zinc/63/23/13/890632313.db2.gz GAXMBMUZTROJRE-VXGBXAGGSA-N 0 1 401.394 4.167 20 5 HIBDMN CCC(=O)c1ccc(Cl)c(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000475818535 890753039 /nfs/dbraw/zinc/75/30/39/890753039.db2.gz OTZBVUDODTUDIG-UHFFFAOYSA-N 0 1 403.243 4.295 20 5 HIBDMN CCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000476216454 891145100 /nfs/dbraw/zinc/14/51/00/891145100.db2.gz AXDZZIFQKJMOKZ-OAQYLSRUSA-N 0 1 409.417 4.395 20 5 HIBDMN CCOc1ccc([C@@H](C)NCc2cccc(NC(=O)c3ccncc3)c2)cc1[N+](=O)[O-] ZINC000504900343 913632101 /nfs/dbraw/zinc/63/21/01/913632101.db2.gz WBNXWDVHEOUUFS-MRXNPFEDSA-N 0 1 420.469 4.492 20 5 HIBDMN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000477277868 892229269 /nfs/dbraw/zinc/22/92/69/892229269.db2.gz WTQBXUFSSHFHRE-UHFFFAOYSA-N 0 1 405.857 4.090 20 5 HIBDMN Cc1c(CN[C@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)cccc1[N+](=O)[O-] ZINC000478493761 893811558 /nfs/dbraw/zinc/81/15/58/893811558.db2.gz SYHFUXUZFAPCEE-MRXNPFEDSA-N 0 1 402.516 4.470 20 5 HIBDMN C[C@@H](Sc1nc(Cc2ccccc2)n[nH]1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000478739184 894015200 /nfs/dbraw/zinc/01/52/00/894015200.db2.gz KNRJCHYIDUOPJD-GFCCVEGCSA-N 0 1 408.443 4.207 20 5 HIBDMN COc1cc(C(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)cc([N+](=O)[O-])c1C ZINC000479142365 894412454 /nfs/dbraw/zinc/41/24/54/894412454.db2.gz QDLVNBOEZOBJLN-INIZCTEOSA-N 0 1 414.849 4.419 20 5 HIBDMN CCC[C@H](NCc1cccc(C(=O)NC[C@H]2CCCO2)c1)c1cccc([N+](=O)[O-])c1 ZINC000481551126 896916927 /nfs/dbraw/zinc/91/69/27/896916927.db2.gz XZZQNPYRSCEZKG-YADHBBJMSA-N 0 1 411.502 4.135 20 5 HIBDMN O=c1cc2c(n[nH]1)CCN(Cc1ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc1)C2 ZINC000482280765 897772967 /nfs/dbraw/zinc/77/29/67/897772967.db2.gz CICPDBLDTDCKMU-UHFFFAOYSA-N 0 1 412.833 4.094 20 5 HIBDMN CC(C)c1[nH]nc(C(=O)N(C)Cc2ccc(Br)cc2Cl)c1[N+](=O)[O-] ZINC000482367965 897888280 /nfs/dbraw/zinc/88/82/80/897888280.db2.gz PPCOSPIEWIMPLR-UHFFFAOYSA-N 0 1 415.675 4.129 20 5 HIBDMN COC(=O)COc1ccc(CN(C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000482499326 898078934 /nfs/dbraw/zinc/07/89/34/898078934.db2.gz NKWLQALFFOFLJR-UHFFFAOYSA-N 0 1 410.426 4.039 20 5 HIBDMN C[C@@H]1CCCCN1CC(=O)Nc1ccc(F)c(NCc2cccc([N+](=O)[O-])c2)c1 ZINC000482664597 898266610 /nfs/dbraw/zinc/26/66/10/898266610.db2.gz PQYCANPATONHKF-OAHLLOKOSA-N 0 1 400.454 4.159 20 5 HIBDMN C[C@H](NCc1cccc(NC(=O)NCc2ccncc2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000482952464 898580829 /nfs/dbraw/zinc/58/08/29/898580829.db2.gz BRLSKNLOTAIQIQ-INIZCTEOSA-N 0 1 405.458 4.162 20 5 HIBDMN CC(C)CCN1Cc2cccc(NC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)c2C1 ZINC000484884113 900269747 /nfs/dbraw/zinc/26/97/47/900269747.db2.gz VSEDHBLFKWFRIC-UHFFFAOYSA-N 0 1 419.485 4.395 20 5 HIBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2cc3ccccc3o2)n[nH]1 ZINC000485104242 900412667 /nfs/dbraw/zinc/41/26/67/900412667.db2.gz ZPAWCSVBQWJNHB-UHFFFAOYSA-N 0 1 409.427 4.490 20 5 HIBDMN CC(C)c1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cnn1-c1ccccc1 ZINC000486084202 901273073 /nfs/dbraw/zinc/27/30/73/901273073.db2.gz VWPSZDQSXYOGRL-UHFFFAOYSA-N 0 1 420.878 4.358 20 5 HIBDMN CSc1cccc(C(=O)Nc2ccc(CN3CCSCC3)cc2C)c1[N+](=O)[O-] ZINC000486259504 901442021 /nfs/dbraw/zinc/44/20/21/901442021.db2.gz YSOCDJQCLXBVID-UHFFFAOYSA-N 0 1 417.556 4.426 20 5 HIBDMN CC(C)([C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1)N1CCCC1 ZINC000486558901 901704596 /nfs/dbraw/zinc/70/45/96/901704596.db2.gz RPCWWLMKHHWFNI-IBGZPJMESA-N 0 1 403.429 4.219 20 5 HIBDMN CCOc1c(OC)cc(CNCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1OC ZINC000487199791 902097766 /nfs/dbraw/zinc/09/77/66/902097766.db2.gz NHYRWTOCUPNDMI-UHFFFAOYSA-N 0 1 414.380 4.319 20 5 HIBDMN C[C@@H](N[C@H](C)c1ccc(Oc2cccnc2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000487891865 902432963 /nfs/dbraw/zinc/43/29/63/902432963.db2.gz DGYLFAQONYRTMJ-HZPDHXFCSA-N 0 1 406.442 4.460 20 5 HIBDMN CO[C@H](C)c1nc(CN2CCCN([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)cs1 ZINC000490013323 903725228 /nfs/dbraw/zinc/72/52/28/903725228.db2.gz LTKBDVDEQJISOQ-IAGOWNOFSA-N 0 1 418.563 4.336 20 5 HIBDMN O=[N+]([O-])c1cccc([C@@H](NCc2ccc(CN3CCOCC3)cc2)c2ccccc2)c1 ZINC000491424174 904590203 /nfs/dbraw/zinc/59/02/03/904590203.db2.gz SBUXEKUVCATWQX-VWLOTQADSA-N 0 1 417.509 4.306 20 5 HIBDMN Cc1cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)n(-c2ccccc2C(F)(F)F)n1 ZINC000506211223 914846391 /nfs/dbraw/zinc/84/63/91/914846391.db2.gz QVVNINMMFOYTHW-UHFFFAOYSA-N 0 1 406.320 4.066 20 5 HIBDMN COc1ccc(C[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c2ccccc2)cc1OC ZINC000506210493 914846606 /nfs/dbraw/zinc/84/66/06/914846606.db2.gz NTYKBHGERKEZSJ-FQEVSTJZSA-N 0 1 422.437 4.031 20 5 HIBDMN COc1cc(CN2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000492678531 904887019 /nfs/dbraw/zinc/88/70/19/904887019.db2.gz FEMKMMUJGDNQQS-UHFFFAOYSA-N 0 1 423.513 4.007 20 5 HIBDMN CCOc1cc(CN2CCC(OCc3ccccc3OC)CC2)ccc1[N+](=O)[O-] ZINC000492725174 904894573 /nfs/dbraw/zinc/89/45/73/904894573.db2.gz WEFRYTIXRBEQDH-UHFFFAOYSA-N 0 1 400.475 4.183 20 5 HIBDMN O=[N+]([O-])c1cccc([C@H](NCCNc2nccc(C(F)(F)F)n2)c2ccccc2)c1 ZINC000493152138 905033670 /nfs/dbraw/zinc/03/36/70/905033670.db2.gz RPNFOQQVVJBTGE-GOSISDBHSA-N 0 1 417.391 4.195 20 5 HIBDMN C[C@@H]1[C@@H](NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000494069339 905406191 /nfs/dbraw/zinc/40/61/91/905406191.db2.gz OJQWDYQQXQKNKW-UTKZUKDTSA-N 0 1 416.481 4.050 20 5 HIBDMN O=C(NC[C@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1)Nc1cccc(F)c1 ZINC000512427045 921154228 /nfs/dbraw/zinc/15/42/28/921154228.db2.gz KDVNNYPEWTTXQW-ZGRWHYIRSA-N 0 1 412.465 4.281 20 5 HIBDMN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](C)c1nc(-c2cc(C)ccn2)n[nH]1 ZINC000494427335 905714955 /nfs/dbraw/zinc/71/49/55/905714955.db2.gz SOLSCCVHDDGSID-LSDHHAIUSA-N 0 1 412.519 4.305 20 5 HIBDMN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](N[C@H]1CCO[C@@H]1C1CC1)c1ccccc1 ZINC000494465528 905747949 /nfs/dbraw/zinc/74/79/49/905747949.db2.gz NFTLPUYJHDAZCL-XUVXKRRUSA-N 0 1 415.877 4.085 20 5 HIBDMN Cc1c(NC(=O)[C@H](C)N[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000494492771 905779728 /nfs/dbraw/zinc/77/97/28/905779728.db2.gz MFURASJJRLCNIN-OEPMTFCVSA-N 0 1 421.856 4.143 20 5 HIBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(COc2ccccc2)CC1 ZINC000496867904 906770825 /nfs/dbraw/zinc/77/08/25/906770825.db2.gz LPDXKSRKUJYFTB-MRXNPFEDSA-N 0 1 408.458 4.497 20 5 HIBDMN Cc1ccc(CN2CCSCC2)cc1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000499646564 908864763 /nfs/dbraw/zinc/86/47/63/908864763.db2.gz NQUCBJGKHPBPGI-UHFFFAOYSA-N 0 1 422.510 4.253 20 5 HIBDMN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H]2CCCC[C@H]12 ZINC000513071792 921525633 /nfs/dbraw/zinc/52/56/33/921525633.db2.gz YZZWKZWLJCQXSY-ORFRNNEJSA-N 0 1 417.550 4.287 20 5 HIBDMN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H]2CCCC[C@H]12 ZINC000513071793 921526402 /nfs/dbraw/zinc/52/64/02/921526402.db2.gz YZZWKZWLJCQXSY-UFHDJZAFSA-N 0 1 417.550 4.287 20 5 HIBDMN CC(C)c1[nH]nc(C(=O)N2CCCCC[C@@H]2c2noc(-c3ccccc3)n2)c1[N+](=O)[O-] ZINC000501836452 910878141 /nfs/dbraw/zinc/87/81/41/910878141.db2.gz WLEZTLFPMROWFY-OAHLLOKOSA-N 0 1 424.461 4.249 20 5 HIBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc(OCc3ccc(F)cc3)c2)c1 ZINC000502022439 910982596 /nfs/dbraw/zinc/98/25/96/910982596.db2.gz YSPUHVIYHWYAKI-UHFFFAOYSA-N 0 1 402.403 4.114 20 5 HIBDMN CC(C)c1[nH]nc(C(=O)N(Cc2csc(Br)c2)C2CC2)c1[N+](=O)[O-] ZINC000502470951 911463920 /nfs/dbraw/zinc/46/39/20/911463920.db2.gz HVARWDWUKUTNSD-UHFFFAOYSA-N 0 1 413.297 4.070 20 5 HIBDMN O=C(NC1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1)c1ccc(F)cc1 ZINC000506395355 915012046 /nfs/dbraw/zinc/01/20/46/915012046.db2.gz GEPZLGFXCLYXJN-UHFFFAOYSA-N 0 1 423.444 4.388 20 5 HIBDMN O=C(Nc1cccc(C[S@@](=O)C2CCCCC2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506472645 915072154 /nfs/dbraw/zinc/07/21/54/915072154.db2.gz GEDQIPUXAZQZKZ-MUUNZHRXSA-N 0 1 402.472 4.134 20 5 HIBDMN CC[C@H](N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC)c(OC)c1 ZINC000506667585 915343228 /nfs/dbraw/zinc/34/32/28/915343228.db2.gz CRDXNHPQUOOECA-WBMJQRKESA-N 0 1 421.881 4.333 20 5 HIBDMN CCc1cc(N2CC[N@@H+](C)C[C@@H]2c2ccccc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000507121139 915877757 /nfs/dbraw/zinc/87/77/57/915877757.db2.gz NVWWOPZGJHHXNX-OAQYLSRUSA-N 0 1 403.486 4.107 20 5 HIBDMN CCc1cc(N2CCN(C)C[C@@H]2c2ccccc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000507121139 915877758 /nfs/dbraw/zinc/87/77/58/915877758.db2.gz NVWWOPZGJHHXNX-OAQYLSRUSA-N 0 1 403.486 4.107 20 5 HIBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)Cc1ccccc1OCC(=O)N1CCCC1 ZINC000507171027 915915454 /nfs/dbraw/zinc/91/54/54/915915454.db2.gz RSXIHVFXJQNZIF-UHFFFAOYSA-N 0 1 411.502 4.007 20 5 HIBDMN CC(C)N1CC[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000507361669 916115888 /nfs/dbraw/zinc/11/58/88/916115888.db2.gz MTPQICOQXLINAB-RTBURBONSA-N 0 1 421.856 4.047 20 5 HIBDMN COc1ccc(-c2cc3[nH]c(Cc4ccc([N+](=O)[O-])cc4C)nc(=O)c3s2)cc1 ZINC000507692367 916467779 /nfs/dbraw/zinc/46/77/79/916467779.db2.gz HIDALNJXYMSHKJ-UHFFFAOYSA-N 0 1 407.451 4.468 20 5 HIBDMN O=C(c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)N1CCN2CCC1CC2 ZINC000507860648 916690765 /nfs/dbraw/zinc/69/07/65/916690765.db2.gz PBPCDWCORIQFAE-UHFFFAOYSA-N 0 1 417.918 4.320 20 5 HIBDMN COCCn1cc2c(n1)[C@@H](NCc1ccc(-c3ccc([N+](=O)[O-])cc3)s1)CCC2 ZINC000507927623 916802479 /nfs/dbraw/zinc/80/24/79/916802479.db2.gz LYQKBCHLRGVSTJ-IBGZPJMESA-N 0 1 412.515 4.333 20 5 HIBDMN CN(c1ccccc1)c1ccc(CNCC(=O)Nc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000507929879 916804417 /nfs/dbraw/zinc/80/44/17/916804417.db2.gz JQLPAWHAQULRMP-UHFFFAOYSA-N 0 1 408.433 4.230 20 5 HIBDMN CC(C)(NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cccc(C(F)(F)F)c1 ZINC000507971788 916823441 /nfs/dbraw/zinc/82/34/41/916823441.db2.gz STJJYATXGZLFSM-UHFFFAOYSA-N 0 1 407.392 4.028 20 5 HIBDMN COc1ccc(S(=O)(=O)[N-]c2ccc([NH+]3CCCCCC3)cc2C)c([N+](=O)[O-])c1 ZINC000508136118 916955404 /nfs/dbraw/zinc/95/54/04/916955404.db2.gz YXINSIMQNOIPGK-UHFFFAOYSA-N 0 1 419.503 4.093 20 5 HIBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000511585554 920231164 /nfs/dbraw/zinc/23/11/64/920231164.db2.gz CJANJRVOVBCZQX-LJQANCHMSA-N 0 1 423.391 4.481 20 5 HIBDMN COc1ccc(CNC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)cc1[N+](=O)[O-] ZINC000511800676 920494271 /nfs/dbraw/zinc/49/42/71/920494271.db2.gz CVXUKTVAOBEYPT-UHFFFAOYSA-N 0 1 419.481 4.165 20 5 HIBDMN COc1ccc(CNC(=O)c2cccc(CN(C)Cc3ccccc3)c2)cc1[N+](=O)[O-] ZINC000511800676 920494280 /nfs/dbraw/zinc/49/42/80/920494280.db2.gz CVXUKTVAOBEYPT-UHFFFAOYSA-N 0 1 419.481 4.165 20 5 HIBDMN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cccc(-c4nnc[nH]4)c3)cc2[N+](=O)[O-])C1 ZINC000512000714 920768953 /nfs/dbraw/zinc/76/89/53/920768953.db2.gz HHPTUENPXJMRNA-GASCZTMLSA-N 0 1 420.473 4.115 20 5 HIBDMN Cc1cc([C@H]2CCCN(C(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)C2)n[nH]1 ZINC000514035044 922356743 /nfs/dbraw/zinc/35/67/43/922356743.db2.gz SQBKYJRZJQTKRP-ZDUSSCGKSA-N 0 1 422.435 4.011 20 5 HIBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(N4CCC[C@H](C)C4)c([N+](=O)[O-])c3)n2)cc1 ZINC000514053720 922374305 /nfs/dbraw/zinc/37/43/05/922374305.db2.gz ZNKNLQQOIXGTPJ-HNNXBMFYSA-N 0 1 420.473 4.177 20 5 HIBDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000514246216 922585766 /nfs/dbraw/zinc/58/57/66/922585766.db2.gz IKRIEIOGENHXJQ-HNNXBMFYSA-N 0 1 416.384 4.358 20 5 HIBDMN Cc1ccc(C=Cc2n[nH]c(SCc3nc(-c4ccc([N+](=O)[O-])cc4)no3)n2)o1 ZINC000514458359 922635705 /nfs/dbraw/zinc/63/57/05/922635705.db2.gz JHNYPEVYNNSDCN-HJWRWDBZSA-N 0 1 410.415 4.127 20 5 HIBDMN Cc1c([C@@H](C)NCc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)cccc1[N+](=O)[O-] ZINC000514695412 922762271 /nfs/dbraw/zinc/76/22/71/922762271.db2.gz BAOHQTRCBVOKIX-MRXNPFEDSA-N 0 1 422.485 4.123 20 5 HIBDMN CCOc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OCC ZINC000514786586 922802491 /nfs/dbraw/zinc/80/24/91/922802491.db2.gz HEHPTPZQQBGTHC-CABCVRRESA-N 0 1 401.463 4.070 20 5 HIBDMN O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCN(C2CCCC2)CC1 ZINC000515806829 923363526 /nfs/dbraw/zinc/36/35/26/923363526.db2.gz GYIOVDDSPDUNKL-UHFFFAOYSA-N 0 1 411.527 4.446 20 5 HIBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1 ZINC000516128676 923561557 /nfs/dbraw/zinc/56/15/57/923561557.db2.gz YNNNAZASXNZBEI-UHFFFAOYSA-N 0 1 409.352 4.372 20 5 HIBDMN Cc1ccc2nc([C@@H]3CCCN(c4c(Br)cncc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000519606325 928026064 /nfs/dbraw/zinc/02/60/64/928026064.db2.gz DWPCKUQONSSZFK-GFCCVEGCSA-N 0 1 416.279 4.321 20 5 HIBDMN COc1ccc(CNCc2ccc(OC)c([N+](=O)[O-])c2)cc1OCc1ccccc1 ZINC000520958744 928889740 /nfs/dbraw/zinc/88/97/40/928889740.db2.gz DSEBIWGMTGJNNP-UHFFFAOYSA-N 0 1 408.454 4.481 20 5 HIBDMN Cc1ccc2[nH]c([C@H]3CCCN3CCC(=O)Nc3cccc([N+](=O)[O-])c3C)nc2c1 ZINC000521686433 929366942 /nfs/dbraw/zinc/36/69/42/929366942.db2.gz XNGFXLQZFPLCQY-HXUWFJFHSA-N 0 1 407.474 4.254 20 5 HIBDMN Cc1ccc2nc([C@H]3CCCN3CCC(=O)Nc3cccc([N+](=O)[O-])c3C)[nH]c2c1 ZINC000521686433 929366970 /nfs/dbraw/zinc/36/69/70/929366970.db2.gz XNGFXLQZFPLCQY-HXUWFJFHSA-N 0 1 407.474 4.254 20 5 HIBDMN Cc1ccc2nc(CNC(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000524770118 929824455 /nfs/dbraw/zinc/82/44/55/929824455.db2.gz KJZHRYRDDAWIAR-UHFFFAOYSA-N 0 1 415.453 4.322 20 5 HIBDMN COc1cc(CN(CCc2ccccc2)[C@@H]2CCOC2)c([N+](=O)[O-])cc1OC(F)F ZINC000530992677 930878332 /nfs/dbraw/zinc/87/83/32/930878332.db2.gz SOTNPTIKWJBETL-QGZVFWFLSA-N 0 1 422.428 4.038 20 5 HIBDMN 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945203037 /nfs/dbraw/zinc/20/30/37/945203037.db2.gz ZWQHCBZVESKGTD-UHFFFAOYSA-N 0 1 419.684 4.428 20 5 HIBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000539047921 938782561 /nfs/dbraw/zinc/78/25/61/938782561.db2.gz ZKVCBANACZJIOF-GFCCVEGCSA-N 0 1 416.279 4.302 20 5 HIBDMN C[C@@H](NCC(=O)Nc1ccc(Br)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000539276408 938831948 /nfs/dbraw/zinc/83/19/48/938831948.db2.gz LGAQYOIOSCBGER-SNVBAGLBSA-N 0 1 412.671 4.300 20 5 HIBDMN COc1ccc([C@@H]2CCCCCN2C(=O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000539277625 938832027 /nfs/dbraw/zinc/83/20/27/938832027.db2.gz RQHBGVAPLJPUAE-VGSWGCGISA-N 0 1 411.502 4.398 20 5 HIBDMN COc1ccc(OCCN[C@H](CC(F)(F)F)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000539277779 938832065 /nfs/dbraw/zinc/83/20/65/938832065.db2.gz WBDZKVSFKNMUIP-OAHLLOKOSA-N 0 1 402.344 4.405 20 5 HIBDMN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)c1 ZINC000539526017 938873660 /nfs/dbraw/zinc/87/36/60/938873660.db2.gz VGZAUALQTMMUQT-UHFFFAOYSA-N 0 1 417.425 4.249 20 5 HIBDMN CC1(C)C[C@@H](N(Cc2ccccc2)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C(C)(C)O1 ZINC000539766587 938930451 /nfs/dbraw/zinc/93/04/51/938930451.db2.gz RHQROKJCKKMHMH-HXUWFJFHSA-N 0 1 411.502 4.042 20 5 HIBDMN COc1cc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)ccc1OC(C)C ZINC000539835552 938953069 /nfs/dbraw/zinc/95/30/69/938953069.db2.gz HDNCTZFOLUJSOZ-UHFFFAOYSA-N 0 1 400.475 4.434 20 5 HIBDMN COc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(OC(C)C)cc2)c([N+](=O)[O-])c1 ZINC000540363129 939211124 /nfs/dbraw/zinc/21/11/24/939211124.db2.gz IRQBGPUAKRHSRU-HUUCEWRRSA-N 0 1 401.463 4.068 20 5 HIBDMN C[C@@H](NCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)c1cccc([N+](=O)[O-])c1 ZINC000540377867 939218650 /nfs/dbraw/zinc/21/86/50/939218650.db2.gz ZCBHRQYZSFLMDZ-OAHLLOKOSA-N 0 1 411.458 4.316 20 5 HIBDMN C[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OCC2CC2)c(F)c1 ZINC000540422581 939242915 /nfs/dbraw/zinc/24/29/15/939242915.db2.gz FLMTWBSCTFJSOH-GFCCVEGCSA-N 0 1 421.856 4.465 20 5 HIBDMN CCOc1ccc([C@H]2CCCN2C(=O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000540476071 939266948 /nfs/dbraw/zinc/26/69/48/939266948.db2.gz QIDRPZCIGPSYOG-DYESRHJHSA-N 0 1 411.502 4.316 20 5 HIBDMN Cc1ccc([C@H](C)N[C@H](C)C(=O)N(C)Cc2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000540476792 939268333 /nfs/dbraw/zinc/26/83/33/939268333.db2.gz RPCPBBAKSSVQSZ-LSDHHAIUSA-N 0 1 412.515 4.211 20 5 HIBDMN C[C@@H](N[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000540714002 939345855 /nfs/dbraw/zinc/34/58/55/939345855.db2.gz QIOOPMWRSPZBAC-KDOFPFPSSA-N 0 1 421.419 4.455 20 5 HIBDMN C[C@@H](N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000540753987 939360079 /nfs/dbraw/zinc/36/00/79/939360079.db2.gz UFAFUMOYTXGYFP-JPYJTQIMSA-N 0 1 403.482 4.173 20 5 HIBDMN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000540857144 939397246 /nfs/dbraw/zinc/39/72/46/939397246.db2.gz FUZKAIZYSKXTJU-UHFFFAOYSA-N 0 1 405.439 4.264 20 5 HIBDMN O=[N+]([O-])c1cccc([C@@H](NCc2nc(-c3ccc(F)cc3)n[nH]2)c2ccccc2)c1 ZINC000540913632 939416157 /nfs/dbraw/zinc/41/61/57/939416157.db2.gz QAKNFMWNTJAGGE-NRFANRHFSA-N 0 1 403.417 4.398 20 5 HIBDMN O=[N+]([O-])c1cccc([C@@H](NCc2n[nH]c(-c3ccc(F)cc3)n2)c2ccccc2)c1 ZINC000540913632 939416162 /nfs/dbraw/zinc/41/61/62/939416162.db2.gz QAKNFMWNTJAGGE-NRFANRHFSA-N 0 1 403.417 4.398 20 5 HIBDMN Cc1ccc2nc([C@H]3CCCN3C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)[nH]c2c1 ZINC000540920219 939417826 /nfs/dbraw/zinc/41/78/26/939417826.db2.gz PMLLTBGAZCGZQM-MRXNPFEDSA-N 0 1 416.384 4.358 20 5 HIBDMN COc1ccc(NC(=O)c2cccc(CN(C)Cc3ccccc3)c2)cc1[N+](=O)[O-] ZINC000541273587 939488802 /nfs/dbraw/zinc/48/88/02/939488802.db2.gz XOSGINWAVOLARG-UHFFFAOYSA-N 0 1 405.454 4.488 20 5 HIBDMN CN(Cc1ccccc1)Cc1cccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000541307753 939490366 /nfs/dbraw/zinc/49/03/66/939490366.db2.gz PZLDLQJFFOSTPL-UHFFFAOYSA-N 0 1 415.493 4.425 20 5 HIBDMN CCc1ccc([C@@H](NCCCNC(=O)c2cccs2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541564953 939556627 /nfs/dbraw/zinc/55/66/27/939556627.db2.gz MEMJXSXTUPXWEW-FQEVSTJZSA-N 0 1 413.499 4.311 20 5 HIBDMN COc1cccc(OC)c1Oc1ccc(CNCc2ccc([N+](=O)[O-])cc2C)cn1 ZINC000541770461 939626647 /nfs/dbraw/zinc/62/66/47/939626647.db2.gz COZALQTXHBYAAG-UHFFFAOYSA-N 0 1 409.442 4.398 20 5 HIBDMN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1cccc2nc(-c3cccs3)[nH]c21 ZINC000542768850 939859975 /nfs/dbraw/zinc/85/99/75/939859975.db2.gz NQELJMQZQKKJHU-UHFFFAOYSA-N 0 1 404.411 4.328 20 5 HIBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H](c2ccccc2F)C2CCCC2)cc1 ZINC000543184986 939989454 /nfs/dbraw/zinc/98/94/54/939989454.db2.gz GNOBCAUTNPFVSK-FQEVSTJZSA-N 0 1 406.479 4.029 20 5 HIBDMN CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000543560268 940108909 /nfs/dbraw/zinc/10/89/09/940108909.db2.gz ZRBRHENBKUAAMQ-HKUYNNGSSA-N 0 1 412.421 4.136 20 5 HIBDMN COc1ccc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000543858098 940212330 /nfs/dbraw/zinc/21/23/30/940212330.db2.gz OOJXDAPBVBHHJH-UHFFFAOYSA-N 0 1 410.757 4.076 20 5 HIBDMN CCN(CC)C(=O)CCC1CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000543871541 940219041 /nfs/dbraw/zinc/21/90/41/940219041.db2.gz XOXUSFYTISXMTQ-UHFFFAOYSA-N 0 1 405.539 4.243 20 5 HIBDMN CC[C@@H](NCCOc1ccc(OC)cc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000544457578 940439152 /nfs/dbraw/zinc/43/91/52/940439152.db2.gz ARCYEEFYNCLQAO-LLVKDONJSA-N 0 1 405.398 4.198 20 5 HIBDMN COc1cc(CN(C)CCc2ccncc2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000544599082 940487377 /nfs/dbraw/zinc/48/73/77/940487377.db2.gz SMFNRDSZNHAIGN-UHFFFAOYSA-N 0 1 407.470 4.252 20 5 HIBDMN CCC[C@@H](NCc1ccc([N+](=O)[O-])cc1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000544629443 940494166 /nfs/dbraw/zinc/49/41/66/940494166.db2.gz FKNOGTFBEDUQAB-JOCHJYFZSA-N 0 1 410.518 4.400 20 5 HIBDMN CC(C)(C(=O)NC[C@@H](c1cccs1)N1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000545166749 940553384 /nfs/dbraw/zinc/55/33/84/940553384.db2.gz CDPBJGYZZJFOPS-KRWDZBQOSA-N 0 1 405.495 4.026 20 5 HIBDMN CC[C@@H](CC(F)(F)F)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000546180955 940722510 /nfs/dbraw/zinc/72/25/10/940722510.db2.gz MRZCSMQVMSPVTK-BDAKNGLRSA-N 0 1 401.307 4.261 20 5 HIBDMN Cc1cc(Cc2noc(-c3ccc(CN4C[C@@H](C)O[C@@H](C)C4)cc3)n2)ccc1[N+](=O)[O-] ZINC000546558453 940852562 /nfs/dbraw/zinc/85/25/62/940852562.db2.gz UXSXRHDDXAPQRM-CALCHBBNSA-N 0 1 422.485 4.153 20 5 HIBDMN COc1ccc(-c2cc(-c3nc(-c4ccc([N+](=O)[O-])cc4C)no3)[nH]n2)cc1OC ZINC000547106884 940999465 /nfs/dbraw/zinc/99/94/65/940999465.db2.gz DGXISEKBTZBELP-UHFFFAOYSA-N 0 1 407.386 4.028 20 5 HIBDMN Cc1sc(C2(NCCn3cc([N+](=O)[O-])cn3)CCC2)nc1-c1ccccc1F ZINC000550524878 941334989 /nfs/dbraw/zinc/33/49/89/941334989.db2.gz OEQSLHYSOCRAQF-UHFFFAOYSA-N 0 1 401.467 4.031 20 5 HIBDMN C[C@H](N[C@@H](C)c1ccc(OCc2cccnc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000550906932 941380828 /nfs/dbraw/zinc/38/08/28/941380828.db2.gz CEHQJRVJOCOFFO-IRXDYDNUSA-N 0 1 420.469 4.247 20 5 HIBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000551517125 941493157 /nfs/dbraw/zinc/49/31/57/941493157.db2.gz FMLSMVZEJGEJOM-GFCCVEGCSA-N 0 1 416.421 4.176 20 5 HIBDMN CCS(=O)(=O)c1ccc([C@H](C)N[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000551814766 941550964 /nfs/dbraw/zinc/55/09/64/941550964.db2.gz VCGUNXSJWFMXPJ-VBKZILBWSA-N 0 1 402.516 4.462 20 5 HIBDMN CC[C@@H](C)N[C@@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccco1 ZINC000554633963 942180560 /nfs/dbraw/zinc/18/05/60/942180560.db2.gz IFOWTKFANQKZEU-VFNWGFHPSA-N 0 1 403.482 4.134 20 5 HIBDMN O=[N+]([O-])c1cccc(-c2nc(CNCCc3cc(C(F)(F)F)ccn3)cs2)c1 ZINC000555617109 942671516 /nfs/dbraw/zinc/67/15/16/942671516.db2.gz NPGRKCWJSSMUCA-UHFFFAOYSA-N 0 1 408.405 4.464 20 5 HIBDMN CC(C)(CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCc2ccccc2C1 ZINC000559002325 943797525 /nfs/dbraw/zinc/79/75/25/943797525.db2.gz WDLIOOYAXCPCIA-UHFFFAOYSA-N 0 1 421.419 4.180 20 5 HIBDMN COc1cc([C@@H](C)[NH2+]Cc2cc([O-])ccc2[N+](=O)[O-])ccc1OCc1ccncc1 ZINC000559147014 943853824 /nfs/dbraw/zinc/85/38/24/943853824.db2.gz KAYYRFHJIYYGDR-OAHLLOKOSA-N 0 1 409.442 4.134 20 5 HIBDMN C[C@H](C(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000561423236 944591563 /nfs/dbraw/zinc/59/15/63/944591563.db2.gz PRUUHVRUNHJDIG-OWZDWXTDSA-N 0 1 419.884 4.300 20 5 HIBDMN C[C@H](C(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000561423238 944591651 /nfs/dbraw/zinc/59/16/51/944591651.db2.gz PRUUHVRUNHJDIG-ZSOFBXJNSA-N 0 1 419.884 4.300 20 5 HIBDMN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN(C2CC2)[C@H]1c1cccc(OC)c1 ZINC000565334394 945814756 /nfs/dbraw/zinc/81/47/56/945814756.db2.gz MAZOIJULIKUPPG-UNMCSNQZSA-N 0 1 424.501 4.265 20 5 HIBDMN CCn1c(C)nc([N+](=O)[O-])c1N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000570311614 947190633 /nfs/dbraw/zinc/19/06/33/947190633.db2.gz SOHDYGGXKZTJNK-UHFFFAOYSA-N 0 1 405.502 4.031 20 5 HIBDMN CCSc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000571336547 947604100 /nfs/dbraw/zinc/60/41/00/947604100.db2.gz JDKMBWPKKRXZMB-KGLIPLIRSA-N 0 1 403.504 4.393 20 5 HIBDMN O=[N+]([O-])c1cccc(-c2nc(CNCCc3cccc(C(F)(F)F)n3)cs2)c1 ZINC000574774803 948523408 /nfs/dbraw/zinc/52/34/08/948523408.db2.gz XWIHYZPXVNJDPG-UHFFFAOYSA-N 0 1 408.405 4.464 20 5 HIBDMN COc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)N2CCCCC2)cc1 ZINC000006330313 845191546 /nfs/dbraw/zinc/19/15/46/845191546.db2.gz HQXKPHXKKNGKIC-HXUWFJFHSA-N 0 1 417.893 4.214 20 5 HIBDMN O=C(CSc1ccc([N+](=O)[O-])cc1)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000007492135 845345029 /nfs/dbraw/zinc/34/50/29/845345029.db2.gz XOVOIHYYMSRCRE-UHFFFAOYSA-N 0 1 419.934 4.121 20 5 HIBDMN O=C(CSc1n[nH]c(CCC2CCCC2)n1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000012104515 845854128 /nfs/dbraw/zinc/85/41/28/845854128.db2.gz XPXKKUHMQDZZJO-UHFFFAOYSA-N 0 1 409.899 4.220 20 5 HIBDMN O=C(CSc1nc(CCC2CCCC2)n[nH]1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000012104515 845854133 /nfs/dbraw/zinc/85/41/33/845854133.db2.gz XPXKKUHMQDZZJO-UHFFFAOYSA-N 0 1 409.899 4.220 20 5 HIBDMN C[C@@H](Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000021746113 846490717 /nfs/dbraw/zinc/49/07/17/846490717.db2.gz RSILJXGQNGBWIU-SNVBAGLBSA-N 0 1 403.851 4.153 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H](C)c1ccc(Br)cc1 ZINC000023994717 846769748 /nfs/dbraw/zinc/76/97/48/846769748.db2.gz ZKIRNFARLOZFSD-NWDGAFQWSA-N 0 1 422.279 4.044 20 5 HIBDMN O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000027334791 847284402 /nfs/dbraw/zinc/28/44/02/847284402.db2.gz VJOODHVRJRDAFS-OAQYLSRUSA-N 0 1 420.469 4.498 20 5 HIBDMN COc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Br ZINC000030509474 847725048 /nfs/dbraw/zinc/72/50/48/847725048.db2.gz NPWFTCNIXBVPON-VXGBXAGGSA-N 0 1 422.279 4.044 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@@H](C)c1nc2ccccc2s1 ZINC000041894401 848262805 /nfs/dbraw/zinc/26/28/05/848262805.db2.gz BDENJRJACNJQQH-ZDUSSCGKSA-N 0 1 414.487 4.235 20 5 HIBDMN CCOc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC ZINC000043301774 848406649 /nfs/dbraw/zinc/40/66/49/848406649.db2.gz OBYAFZWCLFJKCS-HUUCEWRRSA-N 0 1 401.463 4.070 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H](C)c1ccccc1OC(C)C ZINC000055152139 849978384 /nfs/dbraw/zinc/97/83/84/849978384.db2.gz KVJHWORSORDGQR-LSDHHAIUSA-N 0 1 401.463 4.068 20 5 HIBDMN CCCOc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC ZINC000056161992 850264986 /nfs/dbraw/zinc/26/49/86/850264986.db2.gz PBLSXIVIGBUHBC-GJZGRUSLSA-N 0 1 401.463 4.070 20 5 HIBDMN Nc1ccc(C(=O)Nc2ccc3nc(-c4cc(F)ccc4F)[nH]c3c2)cc1[N+](=O)[O-] ZINC000059332451 850997455 /nfs/dbraw/zinc/99/74/55/850997455.db2.gz RNSPJKPYTRVQOF-UHFFFAOYSA-N 0 1 409.352 4.251 20 5 HIBDMN COc1ccc(C)cc1NC(=O)[C@@H](NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000140106141 853434690 /nfs/dbraw/zinc/43/46/90/853434690.db2.gz YNJKRPFAQWIPSL-QHCPKHFHSA-N 0 1 419.481 4.424 20 5 HIBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000141447621 853472413 /nfs/dbraw/zinc/47/24/13/853472413.db2.gz PPBAYNPMKRNERS-KPZWWZAWSA-N 0 1 412.471 4.442 20 5 HIBDMN CCC(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000146046173 853562225 /nfs/dbraw/zinc/56/22/25/853562225.db2.gz QCUOTOPGOVJEMM-UHFFFAOYSA-N 0 1 418.258 4.051 20 5 HIBDMN O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000216557953 853856011 /nfs/dbraw/zinc/85/60/11/853856011.db2.gz BZIMJAFDXVBONW-AWEZNQCLSA-N 0 1 400.385 4.303 20 5 HIBDMN COc1ccc([C@H](NCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000217114159 853860476 /nfs/dbraw/zinc/86/04/76/853860476.db2.gz KNGXXZMTLPAVGY-LJQANCHMSA-N 0 1 408.401 4.454 20 5 HIBDMN CC[C@@H](NCc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1OCC(=O)N1CCCC1 ZINC000237008060 853950238 /nfs/dbraw/zinc/95/02/38/853950238.db2.gz LEJUPHLIDDORJD-HXUWFJFHSA-N 0 1 411.502 4.145 20 5 HIBDMN Cc1ccc(OC(F)F)c(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000237773691 854093782 /nfs/dbraw/zinc/09/37/82/854093782.db2.gz SRRUUNWFAABKJP-UHFFFAOYSA-N 0 1 402.401 4.195 20 5 HIBDMN Cc1cccn2cc(COc3ccc(CNCc4ccccc4[N+](=O)[O-])cc3)nc12 ZINC000237856683 854109463 /nfs/dbraw/zinc/10/94/63/854109463.db2.gz HSLBKTOLPPGAMO-UHFFFAOYSA-N 0 1 402.454 4.420 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1CSc1nc(-c2cc(Cl)ccc2OC)n[nH]1 ZINC000255932502 854221476 /nfs/dbraw/zinc/22/14/76/854221476.db2.gz YVUCUOGKQIAKDQ-UHFFFAOYSA-N 0 1 406.851 4.343 20 5 HIBDMN O=[N+]([O-])c1cnc(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)c(Br)c1 ZINC000301561084 854420926 /nfs/dbraw/zinc/42/09/26/854420926.db2.gz UIIWTQKSBALQHT-UHFFFAOYSA-N 0 1 412.656 4.342 20 5 HIBDMN Cc1cc(N2CCC[C@H](CNC(=O)c3ccccc3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302104321 854531142 /nfs/dbraw/zinc/53/11/42/854531142.db2.gz WNFLVUFQZHNERW-QGZVFWFLSA-N 0 1 404.470 4.098 20 5 HIBDMN O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000303155601 854789794 /nfs/dbraw/zinc/78/97/94/854789794.db2.gz WLSZBBICOMCRHW-UHFFFAOYSA-N 0 1 402.414 4.177 20 5 HIBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CCCc1cc(-c2ccccc2)no1 ZINC000303156777 854790364 /nfs/dbraw/zinc/79/03/64/854790364.db2.gz SLVIMKRQGLEDLF-INIZCTEOSA-N 0 1 408.458 4.141 20 5 HIBDMN COCC1(CN[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCC1 ZINC000409844657 855683695 /nfs/dbraw/zinc/68/36/95/855683695.db2.gz NCOWZICJDTUILU-IBGZPJMESA-N 0 1 417.893 4.334 20 5 HIBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC000410168700 855848194 /nfs/dbraw/zinc/84/81/94/855848194.db2.gz FRKLWQMYQGJHCA-UHFFFAOYSA-N 0 1 412.339 4.420 20 5 HIBDMN O=C(N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000437393554 862727934 /nfs/dbraw/zinc/72/79/34/862727934.db2.gz QIVHBBUESDSVGK-AULYBMBSSA-N 0 1 404.348 4.166 20 5 HIBDMN O=[N+]([O-])c1ccn(C2CCN(Cc3cc4ccccc4nc3N3CCCCC3)CC2)n1 ZINC000425993686 856035636 /nfs/dbraw/zinc/03/56/36/856035636.db2.gz MHVLKECQESFCID-UHFFFAOYSA-N 0 1 420.517 4.167 20 5 HIBDMN O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1cccc(-c2ccc(F)cc2Cl)n1 ZINC000427639460 856894172 /nfs/dbraw/zinc/89/41/72/856894172.db2.gz PLEAXOGAAXMACR-UHFFFAOYSA-N 0 1 421.837 4.391 20 5 HIBDMN O=C(Nc1ccc2nc(-c3ccccc3)[nH]c2c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000427791382 856956872 /nfs/dbraw/zinc/95/68/72/856956872.db2.gz WQDIBOFAGZOJTO-UHFFFAOYSA-N 0 1 416.393 4.162 20 5 HIBDMN COc1cc(CN(C)CC2(O)CCCCCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000428447446 857206219 /nfs/dbraw/zinc/20/62/19/857206219.db2.gz MNEQTYBSVQUHBS-UHFFFAOYSA-N 0 1 420.428 4.062 20 5 HIBDMN COC(=O)[C@@]1(c2ccccc2)CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000430107075 858033994 /nfs/dbraw/zinc/03/39/94/858033994.db2.gz SRDFYUOLKCMLEH-QFIPXVFZSA-N 0 1 423.494 4.035 20 5 HIBDMN CCCN(C(=O)c1cccs1)C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000431133687 858462234 /nfs/dbraw/zinc/46/22/34/858462234.db2.gz UPPDVJQIIHMONG-UHFFFAOYSA-N 0 1 417.531 4.052 20 5 HIBDMN CCN(CC)[C@H](CNC(=O)c1cccc(OC)c1[N+](=O)[O-])c1ccccc1Cl ZINC000435649068 860934728 /nfs/dbraw/zinc/93/47/28/860934728.db2.gz XXWOEFCVFOIGNA-QGZVFWFLSA-N 0 1 405.882 4.070 20 5 HIBDMN O=C(Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000439040575 864495156 /nfs/dbraw/zinc/49/51/56/864495156.db2.gz IWBRPSFAUZIWNZ-UHFFFAOYSA-N 0 1 416.372 4.406 20 5 HIBDMN O=[N+]([O-])c1cc(Cl)ccc1CN[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000439433207 864829927 /nfs/dbraw/zinc/82/99/27/864829927.db2.gz YWHDNYPJPWFLPO-HNNXBMFYSA-N 0 1 411.771 4.264 20 5 HIBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000439440881 864832871 /nfs/dbraw/zinc/83/28/71/864832871.db2.gz RBWQBYVEFMQFQH-SJKOYZFVSA-N 0 1 405.380 4.480 20 5 HIBDMN CO[C@H](C)c1nc(CN2CCCN([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)cs1 ZINC000468250673 882156229 /nfs/dbraw/zinc/15/62/29/882156229.db2.gz LPSPEKKGMCYRNP-JKSUJKDBSA-N 0 1 404.536 4.028 20 5 HIBDMN CCc1[nH]nc(C(=O)N(C)[C@H](C)c2ccc(-c3ccccc3OC)cc2)c1[N+](=O)[O-] ZINC000444259391 868703863 /nfs/dbraw/zinc/70/38/63/868703863.db2.gz KWVHKGQFMKYGJZ-CQSZACIVSA-N 0 1 408.458 4.389 20 5 HIBDMN Cc1[nH]nc2cc(NC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)ccc12 ZINC000444293053 868722099 /nfs/dbraw/zinc/72/20/99/868722099.db2.gz VTMBARKXLNNGLE-UHFFFAOYSA-N 0 1 404.376 4.397 20 5 HIBDMN CCc1[nH]nc(C(=O)N2CCc3ccccc3[C@H](c3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000444336306 868765037 /nfs/dbraw/zinc/76/50/37/868765037.db2.gz JREQBMHZEOEXJP-YWZLYKJASA-N 0 1 404.470 4.099 20 5 HIBDMN C[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2n1C(F)F ZINC000444677075 868952885 /nfs/dbraw/zinc/95/28/85/868952885.db2.gz PFSHMUXSZVVCOZ-GFCCVEGCSA-N 0 1 403.389 4.019 20 5 HIBDMN C[C@@H]1C[C@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CN1Cc1ccccc1 ZINC000444990852 869147909 /nfs/dbraw/zinc/14/79/09/869147909.db2.gz JQJBOVLBLYISRC-MJGOQNOKSA-N 0 1 411.505 4.074 20 5 HIBDMN Cc1cc(S(=O)(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)ccc1[N+](=O)[O-] ZINC000447267269 871150523 /nfs/dbraw/zinc/15/05/23/871150523.db2.gz MMRSSBGOYLSEOX-UHFFFAOYSA-N 0 1 421.381 4.170 20 5 HIBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(Oc2ccccc2F)nc1 ZINC000447272806 871161414 /nfs/dbraw/zinc/16/14/14/871161414.db2.gz XVPMBSWFNAMMDO-UHFFFAOYSA-N 0 1 403.391 4.030 20 5 HIBDMN Cc1cc(S(=O)(=O)Nc2ccc(Oc3ccccc3F)nc2)ccc1[N+](=O)[O-] ZINC000447273264 871162374 /nfs/dbraw/zinc/16/23/74/871162374.db2.gz ZJOHYRNVRJFMCG-UHFFFAOYSA-N 0 1 403.391 4.030 20 5 HIBDMN O=C(c1sc(Br)cc1[N+](=O)[O-])N1C[C@H]2CCCN2Cc2ccccc21 ZINC000447378048 871284651 /nfs/dbraw/zinc/28/46/51/871284651.db2.gz ZKRRTEHQAUHMFA-GFCCVEGCSA-N 0 1 422.304 4.044 20 5 HIBDMN CN(C)[C@H]1CCOc2c(NC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])cccc21 ZINC000447722177 871665736 /nfs/dbraw/zinc/66/57/36/871665736.db2.gz ILJAXXKEHMXJHH-INIZCTEOSA-N 0 1 419.865 4.041 20 5 HIBDMN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc2c1OCC[C@@H]2N(C)C ZINC000447726383 871674367 /nfs/dbraw/zinc/67/43/67/871674367.db2.gz GOAQLHCZSDPEDM-LRDDRELGSA-N 0 1 419.865 4.039 20 5 HIBDMN Cc1cc(NC[C@@H]2CCCN(C)[C@H]2c2ccnn2C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461864420 875015515 /nfs/dbraw/zinc/01/55/15/875015515.db2.gz KQHZSIQHFVDTEM-SCLBCKFNSA-N 0 1 411.428 4.151 20 5 HIBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000462131621 875231520 /nfs/dbraw/zinc/23/15/20/875231520.db2.gz RWXCABRUYJVFMO-QPUJVOFHSA-N 0 1 423.224 4.014 20 5 HIBDMN Cc1ccc(C[C@@H](C)NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])s1 ZINC000462336224 875452733 /nfs/dbraw/zinc/45/27/33/875452733.db2.gz AXVYFSOSHMKEGM-MRVPVSSYSA-N 0 1 409.316 4.181 20 5 HIBDMN Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)cc1C(F)(F)F ZINC000462362112 875474690 /nfs/dbraw/zinc/47/46/90/875474690.db2.gz VCRONEZTEDEMIU-UHFFFAOYSA-N 0 1 411.361 4.271 20 5 HIBDMN COc1cccc(F)c1[C@@H](C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462399346 875507342 /nfs/dbraw/zinc/50/73/42/875507342.db2.gz VHFFJTXEELDCLS-MRVPVSSYSA-N 0 1 423.249 4.089 20 5 HIBDMN C[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000462478272 875586096 /nfs/dbraw/zinc/58/60/96/875586096.db2.gz CCOVYLNIKNUVAI-ZETCQYMHSA-N 0 1 411.213 4.219 20 5 HIBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000462488897 875597500 /nfs/dbraw/zinc/59/75/00/875597500.db2.gz JACDVRNMSJLJDO-IBGZPJMESA-N 0 1 413.543 4.351 20 5 HIBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000462488898 875598542 /nfs/dbraw/zinc/59/85/42/875598542.db2.gz JACDVRNMSJLJDO-LJQANCHMSA-N 0 1 413.543 4.351 20 5 HIBDMN Cc1cc(N2CCN([C@@H](C)c3ccsc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000462693636 875784667 /nfs/dbraw/zinc/78/46/67/875784667.db2.gz XIOHXWVINHUVTB-INIZCTEOSA-N 0 1 409.515 4.305 20 5 HIBDMN Cc1ccc(CC[C@H](C)NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])o1 ZINC000462705426 875790778 /nfs/dbraw/zinc/79/07/78/875790778.db2.gz VHNZQWPDTZLJCZ-VIFPVBQESA-N 0 1 407.275 4.103 20 5 HIBDMN COc1cc(Cl)c(S(=O)(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cc1Cl ZINC000463445554 876504023 /nfs/dbraw/zinc/50/40/23/876504023.db2.gz VFKXTJJTTOXTBI-UHFFFAOYSA-N 0 1 405.259 4.328 20 5 HIBDMN O=C(Nc1nc2ccc(Br)cc2[nH]1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000464559791 877777225 /nfs/dbraw/zinc/77/72/25/877777225.db2.gz VNCPQNMRBIJVRA-UHFFFAOYSA-N 0 1 401.176 4.232 20 5 HIBDMN CSc1ccc(C(=O)Nc2nc3ccc(Br)cc3[nH]2)cc1[N+](=O)[O-] ZINC000464574000 877795992 /nfs/dbraw/zinc/79/59/92/877795992.db2.gz ATVGEPYPASVXPZ-UHFFFAOYSA-N 0 1 407.249 4.208 20 5 HIBDMN Cc1ccc(CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]2CCCO2)cc1 ZINC000464774094 878017327 /nfs/dbraw/zinc/01/73/27/878017327.db2.gz HYRNHNHBZBTYSI-NRFANRHFSA-N 0 1 422.485 4.177 20 5 HIBDMN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](NC[C@H]1CCCS1)c1ccccc1 ZINC000464985875 878334686 /nfs/dbraw/zinc/33/46/86/878334686.db2.gz QXBWYRSSORGLPZ-QAPCUYQASA-N 0 1 405.907 4.413 20 5 HIBDMN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000503417001 912402119 /nfs/dbraw/zinc/40/21/19/912402119.db2.gz DQXREQPBHFJBOJ-UHFFFAOYSA-N 0 1 405.495 4.098 20 5 HIBDMN CSc1n[nH]c(NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])n1 ZINC000467123408 880878507 /nfs/dbraw/zinc/87/85/07/880878507.db2.gz YHUINSVZFRQDJK-UHFFFAOYSA-N 0 1 421.891 4.492 20 5 HIBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470665968 885093756 /nfs/dbraw/zinc/09/37/56/885093756.db2.gz GYBVOSAGQRLPEL-YLJYHZDGSA-N 0 1 413.543 4.198 20 5 HIBDMN Nc1c(F)c(N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000471244010 885821361 /nfs/dbraw/zinc/82/13/61/885821361.db2.gz MMBUIYPVQGQEBC-UHFFFAOYSA-N 0 1 412.387 4.047 20 5 HIBDMN COc1cccc([C@@H]2[C@@H](NC(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)CCN2C2CC2)c1 ZINC000471988156 886815219 /nfs/dbraw/zinc/81/52/19/886815219.db2.gz HIGFNPTUFQAJAJ-SIKLNZKXSA-N 0 1 424.501 4.320 20 5 HIBDMN COc1ccc(CN[C@H](CO)c2ccsc2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000472044768 886860859 /nfs/dbraw/zinc/86/08/59/886860859.db2.gz VDULZQIHGVUVEW-LJQANCHMSA-N 0 1 414.483 4.067 20 5 HIBDMN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN[C@H](CO)c2ccsc2)cc1 ZINC000472075982 886878192 /nfs/dbraw/zinc/87/81/92/886878192.db2.gz XMJCJDNQXVROIS-OAQYLSRUSA-N 0 1 420.494 4.332 20 5 HIBDMN COC(=O)COc1ccc(CNC(C)(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000474356218 889234908 /nfs/dbraw/zinc/23/49/08/889234908.db2.gz QMXMMHBBGQDUCP-UHFFFAOYSA-N 0 1 420.465 4.200 20 5 HIBDMN COC(=O)COc1ccc(CN[C@H]2CCSc3ccc(Cl)cc32)cc1[N+](=O)[O-] ZINC000474359825 889238712 /nfs/dbraw/zinc/23/87/12/889238712.db2.gz FINONMWFNZHMRC-HNNXBMFYSA-N 0 1 422.890 4.127 20 5 HIBDMN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(F)cc(Cl)c1O ZINC000474437698 889301195 /nfs/dbraw/zinc/30/11/95/889301195.db2.gz PIEPJRNUVVTCCT-UHFFFAOYSA-N 0 1 400.815 4.084 20 5 HIBDMN Cc1ccc([C@H](N[C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccn2)cc1 ZINC000475334888 890254576 /nfs/dbraw/zinc/25/45/76/890254576.db2.gz FLHHZLRDVDRLRN-SBUREZEXSA-N 0 1 404.470 4.395 20 5 HIBDMN COc1cccc([C@@H]2[C@@H](NC(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)CCN2C2CC2)c1 ZINC000475564631 890494109 /nfs/dbraw/zinc/49/41/09/890494109.db2.gz NBIWFSYPHQVXEJ-SIKLNZKXSA-N 0 1 424.501 4.320 20 5 HIBDMN O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1cc(-c2ccc3ccccc3c2)n[nH]1 ZINC000476454016 891366208 /nfs/dbraw/zinc/36/62/08/891366208.db2.gz UVRLTMRDPZGFBJ-UHFFFAOYSA-N 0 1 408.439 4.080 20 5 HIBDMN Cc1c(CNC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)cccc1[N+](=O)[O-] ZINC000479778382 895081356 /nfs/dbraw/zinc/08/13/56/895081356.db2.gz XAORSGWRZPLLCX-GOSISDBHSA-N 0 1 424.423 4.024 20 5 HIBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000505275561 913932348 /nfs/dbraw/zinc/93/23/48/913932348.db2.gz UQCFVBIUOHPFTE-UHFFFAOYSA-N 0 1 424.784 4.299 20 5 HIBDMN CC(C)(C)c1nc2ccc(NC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)cc2[nH]1 ZINC000479787074 895090716 /nfs/dbraw/zinc/09/07/16/895090716.db2.gz UDLKHPFHIMDTKI-UHFFFAOYSA-N 0 1 404.430 4.207 20 5 HIBDMN O=C(CN1CCCCCC1)Nc1ccc(NCc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000479991549 895343464 /nfs/dbraw/zinc/34/34/64/895343464.db2.gz UWFWIZUDIVMVQD-UHFFFAOYSA-N 0 1 400.454 4.161 20 5 HIBDMN Cc1c(CNCc2cnn(-c3ccc(Br)cc3)c2)cccc1[N+](=O)[O-] ZINC000480503212 895872528 /nfs/dbraw/zinc/87/25/28/895872528.db2.gz XLHMIRPGCPJJEY-UHFFFAOYSA-N 0 1 401.264 4.141 20 5 HIBDMN CO[C@@H](c1ccccc1Cl)[C@@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000481361813 896741099 /nfs/dbraw/zinc/74/10/99/896741099.db2.gz SISVJDLQCBGKEQ-ADLMAVQZSA-N 0 1 412.273 4.206 20 5 HIBDMN NC(=O)c1ccc(CNC2(c3ccc(C(F)(F)F)cc3)CCCC2)c([N+](=O)[O-])c1 ZINC000505457370 914126894 /nfs/dbraw/zinc/12/68/94/914126894.db2.gz KMUJNFHOTZQVQY-UHFFFAOYSA-N 0 1 407.392 4.272 20 5 HIBDMN O=[N+]([O-])c1ccc(CN[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)c(Cl)c1 ZINC000482502627 898085402 /nfs/dbraw/zinc/08/54/02/898085402.db2.gz LLTVJVBUSVUQLL-OAHLLOKOSA-N 0 1 411.771 4.264 20 5 HIBDMN CN(c1ccccc1)c1ccc(CN[C@@H](c2nnc[nH]2)c2ccccc2)cc1[N+](=O)[O-] ZINC000482533177 898121182 /nfs/dbraw/zinc/12/11/82/898121182.db2.gz LTNGTIGTPHNUTK-JOCHJYFZSA-N 0 1 414.469 4.360 20 5 HIBDMN CO[C@@]1(C)CCCN([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000483037884 898704368 /nfs/dbraw/zinc/70/43/68/898704368.db2.gz FGJJLQKKJDBDPA-GMAHTHKFSA-N 0 1 411.502 4.474 20 5 HIBDMN C[C@@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)[C@@H](c1ccccc1)N(C)C ZINC000505592057 914299388 /nfs/dbraw/zinc/29/93/88/914299388.db2.gz QSVNECRZIPSJFJ-CMJOXMDJSA-N 0 1 417.484 4.242 20 5 HIBDMN Cc1cccc(O[C@@H]2CCCC[C@H]2NCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000484648131 900093091 /nfs/dbraw/zinc/09/30/91/900093091.db2.gz CPGONTVMQACHCS-WOJBJXKFSA-N 0 1 408.458 4.433 20 5 HIBDMN O=[N+]([O-])c1ccc(NC2CCN(Cc3ccncc3)CC2)nc1-c1ccc(F)cc1 ZINC000485403985 900702433 /nfs/dbraw/zinc/70/24/33/900702433.db2.gz KXXHIVIITKGAKB-UHFFFAOYSA-N 0 1 407.449 4.267 20 5 HIBDMN CSc1cccc(C(=O)Nc2cccc(CN3CCSCC3)c2C)c1[N+](=O)[O-] ZINC000486239014 901420581 /nfs/dbraw/zinc/42/05/81/901420581.db2.gz GTFPBXBLMNBZMK-UHFFFAOYSA-N 0 1 417.556 4.426 20 5 HIBDMN C[C@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(Oc2cccnc2)cc1 ZINC000487935584 902465965 /nfs/dbraw/zinc/46/59/65/902465965.db2.gz NQJGMKFANJROFL-AOMKIAJQSA-N 0 1 418.453 4.238 20 5 HIBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)n[nH]1 ZINC000489227164 903275699 /nfs/dbraw/zinc/27/56/99/903275699.db2.gz XHRYUVXPOKDNMD-QWHCGFSZSA-N 0 1 405.524 4.466 20 5 HIBDMN COc1ccccc1[C@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCCCC1 ZINC000489385895 903357772 /nfs/dbraw/zinc/35/77/72/903357772.db2.gz DMNNTQWOFORCJJ-NRFANRHFSA-N 0 1 422.485 4.042 20 5 HIBDMN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(Cc2ccc([N+](=O)[O-])c(OC)c2)[C@H]2CCCC[C@H]12 ZINC000490005091 903721660 /nfs/dbraw/zinc/72/16/60/903721660.db2.gz OLRBUACCAGBVCM-UFHDJZAFSA-N 0 1 417.550 4.287 20 5 HIBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000490365460 903957894 /nfs/dbraw/zinc/95/78/94/903957894.db2.gz KJVYUMMBOXUUPQ-CHWSQXEVSA-N 0 1 418.240 4.429 20 5 HIBDMN O=C(CCc1ccc(Cl)c(Cl)c1)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000490399274 903984591 /nfs/dbraw/zinc/98/45/91/903984591.db2.gz NVRCDCHBGWZNBU-UHFFFAOYSA-N 0 1 406.229 4.258 20 5 HIBDMN Cc1ccc(Sc2ccc(C(=O)N[C@H]3CCc4nc[nH]c4C3)cc2[N+](=O)[O-])cc1 ZINC000492693253 904889036 /nfs/dbraw/zinc/88/90/36/904889036.db2.gz VMJRADCFGGSTCX-HNNXBMFYSA-N 0 1 408.483 4.065 20 5 HIBDMN O=C(Nc1nnc(C(F)F)s1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000495126057 906257230 /nfs/dbraw/zinc/25/72/30/906257230.db2.gz BCSUZEZOAMJJES-UHFFFAOYSA-N 0 1 406.370 4.215 20 5 HIBDMN CCOc1ccc([C@@H](C)NCC(=O)Nc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000495437776 906452227 /nfs/dbraw/zinc/45/22/27/906452227.db2.gz DASYHXMSCDHVMI-GFCCVEGCSA-N 0 1 422.279 4.045 20 5 HIBDMN Cn1cc(CN2CCC(Oc3ccc(F)cc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000512690860 921288851 /nfs/dbraw/zinc/28/88/51/921288851.db2.gz QAJJPZWGJQDCLV-UHFFFAOYSA-N 0 1 410.449 4.178 20 5 HIBDMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000498071928 907580297 /nfs/dbraw/zinc/58/02/97/907580297.db2.gz SYINAPMIPLRHAB-UHFFFAOYSA-N 0 1 408.285 4.296 20 5 HIBDMN CC[C@@H](NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000498350026 907852166 /nfs/dbraw/zinc/85/21/66/907852166.db2.gz OVMVFHPYXDUSGV-PBHICJAKSA-N 0 1 402.344 4.318 20 5 HIBDMN CCn1c2ccccc2nc1[C@H]1CCCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500099116 909578816 /nfs/dbraw/zinc/57/88/16/909578816.db2.gz RVYOHQMUUVPATJ-HXUWFJFHSA-N 0 1 407.474 4.130 20 5 HIBDMN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H]2CCCC[C@@H]12 ZINC000513071791 921525865 /nfs/dbraw/zinc/52/58/65/921525865.db2.gz YZZWKZWLJCQXSY-HNULKUCHSA-N 0 1 417.550 4.287 20 5 HIBDMN Cc1ccc(C(C)C)c(Oc2ccc(CN[C@H](C)C(=O)NCCF)cc2[N+](=O)[O-])c1 ZINC000500418058 909845597 /nfs/dbraw/zinc/84/55/97/909845597.db2.gz XPBBDMWXQYURSN-MRXNPFEDSA-N 0 1 417.481 4.383 20 5 HIBDMN Cc1ccc(CN2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000501716024 910784032 /nfs/dbraw/zinc/78/40/32/910784032.db2.gz MBCKCTRFIHQDNI-GOSISDBHSA-N 0 1 411.506 4.135 20 5 HIBDMN COC1(CN[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CCC1 ZINC000502597152 911600773 /nfs/dbraw/zinc/60/07/73/911600773.db2.gz RBSRYAJIIDLLJL-SFHVURJKSA-N 0 1 403.866 4.087 20 5 HIBDMN O=C(CC1CCCC1)N1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000506499188 915116024 /nfs/dbraw/zinc/11/60/24/915116024.db2.gz JUTBHOJHENRCAR-UHFFFAOYSA-N 0 1 411.502 4.469 20 5 HIBDMN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ncc(C(F)(F)F)[nH]2)cc1 ZINC000506906811 915705925 /nfs/dbraw/zinc/70/59/25/915705925.db2.gz ANQVGACREYDLRF-UHFFFAOYSA-N 0 1 422.319 4.390 20 5 HIBDMN CCN(CC)[C@@H](CNc1ccc(C(=O)NC)cc1[N+](=O)[O-])c1ccccc1Cl ZINC000507115528 915875452 /nfs/dbraw/zinc/87/54/52/915875452.db2.gz JDDXKVMEFCUDEU-IBGZPJMESA-N 0 1 404.898 4.103 20 5 HIBDMN COCCSc1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000507462630 916231369 /nfs/dbraw/zinc/23/13/69/916231369.db2.gz FIVSGJNDEBXGOG-LSDHHAIUSA-N 0 1 403.504 4.011 20 5 HIBDMN CN(Cc1ccccc1)Cc1cccc(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC000508459599 917243751 /nfs/dbraw/zinc/24/37/51/917243751.db2.gz VFEIOXKJWPGXKD-UHFFFAOYSA-N 0 1 401.466 4.430 20 5 HIBDMN Cc1nnc(Sc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(C)c2)s1 ZINC000509539346 918186459 /nfs/dbraw/zinc/18/64/59/918186459.db2.gz MXLICHABBRFMNO-UHFFFAOYSA-N 0 1 422.513 4.015 20 5 HIBDMN Cc1ccc([C@@H](CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)N2CCCC2)o1 ZINC000509730611 918354058 /nfs/dbraw/zinc/35/40/58/918354058.db2.gz SYJPABAEFVXUMF-HXUWFJFHSA-N 0 1 414.506 4.253 20 5 HIBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccccc1COCc1ccccc1 ZINC000511129524 919744655 /nfs/dbraw/zinc/74/46/55/919744655.db2.gz HSLRLZHZTANXDJ-UHFFFAOYSA-N 0 1 412.467 4.421 20 5 HIBDMN CCN(CC)C(=O)C1CCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000512210978 920956459 /nfs/dbraw/zinc/95/64/59/920956459.db2.gz HQXPLSNXLPLDLG-UHFFFAOYSA-N 0 1 424.545 4.443 20 5 HIBDMN COc1ccc(C[C@@H]2CCCN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)cc1 ZINC000514763668 922792481 /nfs/dbraw/zinc/79/24/81/922792481.db2.gz NUFKZGWTQYWWGC-KRWDZBQOSA-N 0 1 408.458 4.108 20 5 HIBDMN O=C1[C@H](N[C@@H]2CCSc3ccc(Cl)cc32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000518283198 927141058 /nfs/dbraw/zinc/14/10/58/927141058.db2.gz JHFSVSWRQFBRBE-IAGOWNOFSA-N 0 1 403.891 4.180 20 5 HIBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000519891281 928125075 /nfs/dbraw/zinc/12/50/75/928125075.db2.gz QMJGTSJZLXTJKH-INIZCTEOSA-N 0 1 410.423 4.002 20 5 HIBDMN O=[N+]([O-])c1ccc(OCCSc2nc(-c3ccc(Br)cc3)n[nH]2)cc1 ZINC000520014389 928239818 /nfs/dbraw/zinc/23/98/18/928239818.db2.gz NBRCRILWFIMTRF-UHFFFAOYSA-N 0 1 421.276 4.314 20 5 HIBDMN Cc1ccc(Sc2ccc(C(=O)N(C)[C@@H]3CN4CCC3CC4)cc2[N+](=O)[O-])cc1 ZINC000524695429 929802557 /nfs/dbraw/zinc/80/25/57/929802557.db2.gz IGOGYENYBZEGBG-HXUWFJFHSA-N 0 1 411.527 4.221 20 5 HIBDMN CCCc1[nH]nc(C(=O)N2CCC[C@@H](Cc3cc(Cl)ccc3OC)C2)c1[N+](=O)[O-] ZINC000525489520 930276430 /nfs/dbraw/zinc/27/64/30/930276430.db2.gz JWWUBZWZNMITSI-ZDUSSCGKSA-N 0 1 420.897 4.027 20 5 HIBDMN COc1cc(CN(CCc2ccccc2)[C@H]2CCOC2)c([N+](=O)[O-])cc1OC(F)F ZINC000530992676 930878527 /nfs/dbraw/zinc/87/85/27/930878527.db2.gz SOTNPTIKWJBETL-KRWDZBQOSA-N 0 1 422.428 4.038 20 5 HIBDMN CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)N[C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000531703995 931166078 /nfs/dbraw/zinc/16/60/78/931166078.db2.gz OWZYLPJEGSWVMA-IAGOWNOFSA-N 0 1 400.498 4.288 20 5 HIBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000531717624 931172629 /nfs/dbraw/zinc/17/26/29/931172629.db2.gz QAWJANBFRACSHP-KRWDZBQOSA-N 0 1 419.485 4.471 20 5 HIBDMN CCN(CC)S(=O)(=O)c1ccc([C@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000531931433 931250716 /nfs/dbraw/zinc/25/07/16/931250716.db2.gz BWNAFBXDAYYFTC-HOTGVXAUSA-N 0 1 405.520 4.037 20 5 HIBDMN CCC[C@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1C)C(=O)N1CCc2sccc2C1 ZINC000532221814 931360393 /nfs/dbraw/zinc/36/03/93/931360393.db2.gz KLNCCOVIIFUGGP-BEFAXECRSA-N 0 1 401.532 4.369 20 5 HIBDMN CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1cnn(-c2ccccc2)c1 ZINC000533223435 931814205 /nfs/dbraw/zinc/81/42/05/931814205.db2.gz HEYLXUXHZZDEKU-UHFFFAOYSA-N 0 1 403.442 4.110 20 5 HIBDMN CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)Cc1ccc(OC)cc1 ZINC000533281544 931826710 /nfs/dbraw/zinc/82/67/10/931826710.db2.gz RPQXXEGWXCDIQH-CQSZACIVSA-N 0 1 405.882 4.148 20 5 HIBDMN Cc1c(NC(=O)CCN2CCC(C(F)(F)F)(C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000533433763 931867143 /nfs/dbraw/zinc/86/71/43/931867143.db2.gz ZTPSISJSIOGGTN-UHFFFAOYSA-N 0 1 413.318 4.049 20 5 HIBDMN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000534869015 932814911 /nfs/dbraw/zinc/81/49/11/932814911.db2.gz PLRUNCHLFNSVNO-INIZCTEOSA-N 0 1 412.515 4.190 20 5 HIBDMN Cc1c(CC(=O)NC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000534962368 932862287 /nfs/dbraw/zinc/86/22/87/932862287.db2.gz CTYJOCOAZCGKKT-IERDGZPVSA-N 0 1 419.884 4.047 20 5 HIBDMN Cc1c(C(=O)NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000535682022 933334754 /nfs/dbraw/zinc/33/47/54/933334754.db2.gz UPUVLKLUDCSWSP-AUUYWEPGSA-N 0 1 405.857 4.119 20 5 HIBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535682578 933335731 /nfs/dbraw/zinc/33/57/31/933335731.db2.gz VTQKRQKLIKRKCQ-AUUYWEPGSA-N 0 1 405.857 4.119 20 5 HIBDMN CCOc1ccc(NC(=O)CN[C@@H](C)c2ccc(-c3ccncc3)cc2)c([N+](=O)[O-])c1 ZINC000538239550 938571011 /nfs/dbraw/zinc/57/10/11/938571011.db2.gz ZBAHWKRFECCFGG-INIZCTEOSA-N 0 1 420.469 4.345 20 5 HIBDMN Cc1ccc([C@H](C)NCC(=O)N[C@H](C)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000538277576 938581538 /nfs/dbraw/zinc/58/15/38/938581538.db2.gz VCWDTYWGXWDNGZ-UONOGXRCSA-N 0 1 420.307 4.194 20 5 HIBDMN COC[C@@H]1CCCN(Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000538731127 938695031 /nfs/dbraw/zinc/69/50/31/938695031.db2.gz CTALIXAGLJQMMU-GOSISDBHSA-N 0 1 400.475 4.041 20 5 HIBDMN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000538753713 938702760 /nfs/dbraw/zinc/70/27/60/938702760.db2.gz CMFLLTATSYRRGR-UHFFFAOYSA-N 0 1 406.847 4.349 20 5 HIBDMN COc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1Cl ZINC000538855825 938725848 /nfs/dbraw/zinc/72/58/48/938725848.db2.gz QNNLFNBTXCXIED-UHFFFAOYSA-N 0 1 410.757 4.076 20 5 HIBDMN C[C@@H](N[C@H](C)c1ccc(OCc2cccnc2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000539225299 938821497 /nfs/dbraw/zinc/82/14/97/938821497.db2.gz CJODCPPJBAFDTM-IAGOWNOFSA-N 0 1 420.469 4.247 20 5 HIBDMN Cc1ccc(NC(=O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(Br)c1 ZINC000539378194 938851637 /nfs/dbraw/zinc/85/16/37/938851637.db2.gz YRGFDUGKOJIRBV-ZDUSSCGKSA-N 0 1 406.280 4.263 20 5 HIBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc2nc(-c3ccccn3)oc2c1 ZINC000539599597 938886126 /nfs/dbraw/zinc/88/61/26/938886126.db2.gz UKHFNGCLRIJQEJ-UHFFFAOYSA-N 0 1 424.438 4.216 20 5 HIBDMN CCc1nc2ccccc2n1C1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000540056660 939052854 /nfs/dbraw/zinc/05/28/54/939052854.db2.gz UZOUZLMNCCCWJU-UHFFFAOYSA-N 0 1 422.485 4.211 20 5 HIBDMN CCOc1ccc([C@H](C)NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1OCC ZINC000540367128 939211988 /nfs/dbraw/zinc/21/19/88/939211988.db2.gz BJQFZSWWMLCHBK-ZDUSSCGKSA-N 0 1 421.881 4.335 20 5 HIBDMN COc1ccc2cc(CN(C)C(=O)CN[C@H](C)c3cccc([N+](=O)[O-])c3)ccc2c1 ZINC000540376368 939217583 /nfs/dbraw/zinc/21/75/83/939217583.db2.gz PTBWWFRSTZUKPD-MRXNPFEDSA-N 0 1 407.470 4.066 20 5 HIBDMN Cc1ccc([C@@H](C)N[C@H](C)C(=O)N(C)Cc2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000540476791 939268499 /nfs/dbraw/zinc/26/84/99/939268499.db2.gz RPCPBBAKSSVQSZ-HUUCEWRRSA-N 0 1 412.515 4.211 20 5 HIBDMN COCCOc1ccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cn1 ZINC000540524459 939288156 /nfs/dbraw/zinc/28/81/56/939288156.db2.gz CHPJLFUOJOTZBA-UHFFFAOYSA-N 0 1 417.849 4.218 20 5 HIBDMN COc1ccc(-c2ccc(CNCc3cccc(N4CCCC4=O)c3)o2)c([N+](=O)[O-])c1 ZINC000540536550 939294986 /nfs/dbraw/zinc/29/49/86/939294986.db2.gz GSSBVJIGLJKVCG-UHFFFAOYSA-N 0 1 421.453 4.280 20 5 HIBDMN O=C(NCc1ccccc1)[C@H](Cc1ccccc1)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000540613793 939320509 /nfs/dbraw/zinc/32/05/09/939320509.db2.gz SWRLJINOLWNJIG-ARKLPKAPSA-N 0 1 415.493 4.125 20 5 HIBDMN Cc1c(NC(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)cccc1[N+](=O)[O-] ZINC000540861552 939399600 /nfs/dbraw/zinc/39/96/00/939399600.db2.gz HLQRNAKVTKRAJI-INIZCTEOSA-N 0 1 412.494 4.481 20 5 HIBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H]2c2ccc(Br)s2)c1[N+](=O)[O-] ZINC000541527901 939544689 /nfs/dbraw/zinc/54/46/89/939544689.db2.gz MREFJOFZRONQEX-VIFPVBQESA-N 0 1 413.297 4.243 20 5 HIBDMN C[C@@H](C(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000541708633 939611027 /nfs/dbraw/zinc/61/10/27/939611027.db2.gz DCKASRVSZYKBKS-GDBMZVCRSA-N 0 1 423.448 4.029 20 5 HIBDMN CCc1ccc([C@H](NCCc2cccc(C(=O)N(C)C)c2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542472645 939828713 /nfs/dbraw/zinc/82/87/13/939828713.db2.gz MTDDLZIMOUNYGQ-HSZRJFAPSA-N 0 1 421.497 4.374 20 5 HIBDMN C[C@@H](C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000542570520 939845042 /nfs/dbraw/zinc/84/50/42/939845042.db2.gz ZNVRBCRPPQAOLT-CQSZACIVSA-N 0 1 419.884 4.272 20 5 HIBDMN CCc1ccc([C@H](N[C@H]2CCO[C@@]3(CCSC3)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543422429 940060295 /nfs/dbraw/zinc/06/02/95/940060295.db2.gz GKFPZAXLBWDYOG-DQLDELGASA-N 0 1 402.516 4.484 20 5 HIBDMN CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000543558710 940108888 /nfs/dbraw/zinc/10/88/88/940108888.db2.gz HWZFCOLGJFNNAD-MOPGFXCFSA-N 0 1 412.421 4.136 20 5 HIBDMN C[C@H](C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000543561516 940109305 /nfs/dbraw/zinc/10/93/05/940109305.db2.gz RCCPSIHTHKFTSL-VBKZILBWSA-N 0 1 419.884 4.444 20 5 HIBDMN COc1ccc(-c2n[nH]c(SCc3ccc([N+](=O)[O-])cc3Cl)n2)c(OC)c1 ZINC000543861368 940214021 /nfs/dbraw/zinc/21/40/21/940214021.db2.gz LHHMCYFHGIGPCQ-UHFFFAOYSA-N 0 1 406.851 4.343 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000544384127 940407644 /nfs/dbraw/zinc/40/76/44/940407644.db2.gz CUDFAKXRTMSIBD-LBPRGKRZSA-N 0 1 411.380 4.129 20 5 HIBDMN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2cccs2)cc1 ZINC000544571856 940482219 /nfs/dbraw/zinc/48/22/19/940482219.db2.gz BVJVAJFCBDRYMC-HNNXBMFYSA-N 0 1 416.524 4.448 20 5 HIBDMN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000544655953 940499030 /nfs/dbraw/zinc/49/90/30/940499030.db2.gz GFVKKEKHORKXMH-UHFFFAOYSA-N 0 1 405.495 4.226 20 5 HIBDMN CC[C@H]1CN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCN1Cc1ccccc1 ZINC000544760545 940511559 /nfs/dbraw/zinc/51/15/59/940511559.db2.gz AHGXZAVHFDYQHC-XLIONFOSSA-N 0 1 421.501 4.302 20 5 HIBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(Cc2nnc(-c3ccccc3)[nH]2)no1 ZINC000546427555 940817700 /nfs/dbraw/zinc/81/77/00/940817700.db2.gz GTOLJQBOGIWDRV-GFCCVEGCSA-N 0 1 408.443 4.207 20 5 HIBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3cc([N+](=O)[O-])cc(Br)c3C)n2)cc1 ZINC000550706681 941356851 /nfs/dbraw/zinc/35/68/51/941356851.db2.gz HAUGBKPRDLTTJY-UHFFFAOYSA-N 0 1 416.235 4.012 20 5 HIBDMN O=[N+]([O-])c1ccn(C2CCN(Cc3cnc(-c4ccc(Cl)cc4)s3)CC2)n1 ZINC000551583529 941506893 /nfs/dbraw/zinc/50/68/93/941506893.db2.gz RIUKZQXXJGNNNY-UHFFFAOYSA-N 0 1 403.895 4.405 20 5 HIBDMN CCOc1ccc([C@H](C)N[C@@H](C)c2ccc(S(=O)(=O)CC)cc2)cc1[N+](=O)[O-] ZINC000551812785 941550422 /nfs/dbraw/zinc/55/04/22/941550422.db2.gz XUFBYBGIJGHELU-GJZGRUSLSA-N 0 1 406.504 4.199 20 5 HIBDMN Cc1ccc2[nH]c3c(c2c1)C[C@H](N[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)CC3 ZINC000552281948 941621463 /nfs/dbraw/zinc/62/14/63/941621463.db2.gz PSTXASNVBSCSSO-HXOBKFHXSA-N 0 1 415.497 4.355 20 5 HIBDMN Cc1[nH]ncc1C1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000552396901 941657237 /nfs/dbraw/zinc/65/72/37/941657237.db2.gz KBWFBWPABOFRSY-UHFFFAOYSA-N 0 1 419.485 4.258 20 5 HIBDMN CC(C)N(CCN1CCCCCC1)C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000554079473 942031594 /nfs/dbraw/zinc/03/15/94/942031594.db2.gz YTGKTWDIYYAGNS-UHFFFAOYSA-N 0 1 418.357 4.145 20 5 HIBDMN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cc(F)cc(Cl)c1O ZINC000556985309 942988530 /nfs/dbraw/zinc/98/85/30/942988530.db2.gz ZMBBPVQWQHPRQX-UHFFFAOYSA-N 0 1 403.591 4.416 20 5 HIBDMN COc1ccc([C@H](CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)N2CCCCC2)cc1 ZINC000557627359 943238093 /nfs/dbraw/zinc/23/80/93/943238093.db2.gz XENBCFANRXPUMG-VGSWGCGISA-N 0 1 411.502 4.050 20 5 HIBDMN CN(CCC(F)(F)F)[C@H](CNc1c([N+](=O)[O-])ncn1C)c1ccc(Cl)cc1 ZINC000557687515 943259536 /nfs/dbraw/zinc/25/95/36/943259536.db2.gz WNRZFVXBSKMIAR-CYBMUJFWSA-N 0 1 405.808 4.019 20 5 HIBDMN COc1cc(CNCC(C)(C)C(F)(F)F)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000558680584 943627890 /nfs/dbraw/zinc/62/78/90/943627890.db2.gz NDTCYYIQPFXBRW-UHFFFAOYSA-N 0 1 404.307 4.223 20 5 HIBDMN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC000559094004 943835786 /nfs/dbraw/zinc/83/57/86/943835786.db2.gz AORHMKCESKJLBF-ZDUSSCGKSA-N 0 1 405.380 4.036 20 5 HIBDMN COc1cc(CNc2ccc(C(=O)NC3CCCCC3)cc2C)cc([N+](=O)[O-])c1O ZINC000559998523 944121742 /nfs/dbraw/zinc/12/17/42/944121742.db2.gz WPYSWSHGBREGJV-UHFFFAOYSA-N 0 1 413.474 4.292 20 5 HIBDMN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1cn[nH]c1-c1ccc(F)cc1 ZINC000560796755 944335012 /nfs/dbraw/zinc/33/50/12/944335012.db2.gz MQYBNPOSKCDHKU-UHFFFAOYSA-N 0 1 405.183 4.139 20 5 HIBDMN CCOc1cc(CN(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)ccc1[N+](=O)[O-] ZINC000562337756 945062357 /nfs/dbraw/zinc/06/23/57/945062357.db2.gz IAWUONGPYQYAII-UHFFFAOYSA-N 0 1 409.486 4.050 20 5 HIBDMN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000564447271 945595750 /nfs/dbraw/zinc/59/57/50/945595750.db2.gz SEJPARZMFQKPOS-SFHVURJKSA-N 0 1 406.446 4.311 20 5 HIBDMN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000564447271 945595768 /nfs/dbraw/zinc/59/57/68/945595768.db2.gz SEJPARZMFQKPOS-SFHVURJKSA-N 0 1 406.446 4.311 20 5 HIBDMN CC[C@@H](c1ccncc1)N(C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000569412064 946870957 /nfs/dbraw/zinc/87/09/57/946870957.db2.gz IRTWIMAVHLNNEE-INIZCTEOSA-N 0 1 411.243 4.178 20 5 HIBDMN COc1ccc([C@@H](Cc2ccccc2)NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 ZINC000570369305 947223776 /nfs/dbraw/zinc/22/37/76/947223776.db2.gz NKJZWFRFNJCVHO-OAQYLSRUSA-N 0 1 419.481 4.424 20 5 HIBDMN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1 ZINC000570977918 947408807 /nfs/dbraw/zinc/40/88/07/947408807.db2.gz HMJJLBDLQHNCHK-OAQYLSRUSA-N 0 1 412.490 4.124 20 5 HIBDMN CN(C[C@@H]1CCCN(C)[C@H]1c1ccnn1C)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000572146270 947850159 /nfs/dbraw/zinc/85/01/59/947850159.db2.gz KAYCKDAANWKTGF-YVEFUNNKSA-N 0 1 412.321 4.154 20 5 HIBDMN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000572679325 947978946 /nfs/dbraw/zinc/97/89/46/947978946.db2.gz XWQFYZUCQDTJAN-UHFFFAOYSA-N 0 1 414.372 4.254 20 5 HIBDMN O=[N+]([O-])c1cc2c(ncnc2N2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)s1 ZINC000574473760 948450801 /nfs/dbraw/zinc/45/08/01/948450801.db2.gz LQRMNGIJHQCERJ-ZDUSSCGKSA-N 0 1 413.507 4.149 20 5 HIBDMN O=[N+]([O-])c1cc2c(ncnc2N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)s1 ZINC000574473760 948450805 /nfs/dbraw/zinc/45/08/05/948450805.db2.gz LQRMNGIJHQCERJ-ZDUSSCGKSA-N 0 1 413.507 4.149 20 5 HIBDMN O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CC[C@@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164722514 720372186 /nfs/dbraw/zinc/37/21/86/720372186.db2.gz DBPXKONELMSZKZ-QZTJIDSGSA-N 0 1 409.877 4.045 20 5 HIBDMN CCOC(C)(C)CN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000436005972 861293637 /nfs/dbraw/zinc/29/36/37/861293637.db2.gz MLOPLASNIJWOOV-GOSISDBHSA-N 0 1 405.882 4.333 20 5 HIBDMN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000436124872 861410041 /nfs/dbraw/zinc/41/00/41/861410041.db2.gz AUDBGJZZLBDRSS-XLIONFOSSA-N 0 1 411.505 4.247 20 5 HIBDMN Cc1cc2cc[nH]c2cc1NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000436175020 861478599 /nfs/dbraw/zinc/47/85/99/861478599.db2.gz LHJMOXYRIRIYPF-UHFFFAOYSA-N 0 1 424.276 4.256 20 5 HIBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1 ZINC000005327318 845104457 /nfs/dbraw/zinc/10/44/57/845104457.db2.gz KZYPIYHRGXPASQ-UHFFFAOYSA-N 0 1 415.393 4.015 20 5 HIBDMN O=[N+]([O-])c1ccc(NC(=S)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000007402979 845322129 /nfs/dbraw/zinc/32/21/29/845322129.db2.gz AKVDDEYXEYOKKV-UHFFFAOYSA-N 0 1 404.923 4.199 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nc2ccc(Cl)cc2[nH]1 ZINC000009483454 845572134 /nfs/dbraw/zinc/57/21/34/845572134.db2.gz LJLJKKKWMCGHMD-VIFPVBQESA-N 0 1 406.851 4.252 20 5 HIBDMN O=C(Nc1ccc(F)cc1)[C@@H](NCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000015505611 846056271 /nfs/dbraw/zinc/05/62/71/846056271.db2.gz IRVWYNSHHJHYIF-NRFANRHFSA-N 0 1 408.433 4.115 20 5 HIBDMN Cc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)n2)cc1 ZINC000021730927 846488744 /nfs/dbraw/zinc/48/87/44/846488744.db2.gz WLZMRNDYYFVHFC-NSHDSACASA-N 0 1 417.878 4.461 20 5 HIBDMN Cc1c(NC(=O)[C@@H](C)Sc2nc(-c3ccc(Cl)cc3)n[nH]2)cccc1[N+](=O)[O-] ZINC000023966943 846764098 /nfs/dbraw/zinc/76/40/98/846764098.db2.gz IEXAKERNIBVASV-LLVKDONJSA-N 0 1 417.878 4.461 20 5 HIBDMN COc1cc([C@@H]2Nc3ccccc3C(=O)N2c2cccc(C)c2)cc([N+](=O)[O-])c1O ZINC000024098356 846788889 /nfs/dbraw/zinc/78/88/89/846788889.db2.gz VKOIMLOMHWKQJQ-OAQYLSRUSA-N 0 1 405.410 4.389 20 5 HIBDMN CN(C)[C@H](CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1ccsc1 ZINC000025330691 846961420 /nfs/dbraw/zinc/96/14/20/846961420.db2.gz VMUSYORVWSZRQT-HXUWFJFHSA-N 0 1 410.499 4.433 20 5 HIBDMN C[C@@H]1CN(Cc2ccc(CNc3ccc([N+](=O)[O-])c4cnccc34)cc2)C[C@H](C)O1 ZINC000030001638 847667838 /nfs/dbraw/zinc/66/78/38/847667838.db2.gz TYMSWFMKPXQSIV-CALCHBBNSA-N 0 1 406.486 4.364 20 5 HIBDMN COc1cc([C@H](C)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1OC(C)C ZINC000030492781 847721414 /nfs/dbraw/zinc/72/14/14/847721414.db2.gz FTBIHGJXVFNAJD-JKSUJKDBSA-N 0 1 415.490 4.377 20 5 HIBDMN O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000033197249 848124139 /nfs/dbraw/zinc/12/41/39/848124139.db2.gz IYBWEJPGZUCCDL-YUMQZZPRSA-N 0 1 424.301 4.110 20 5 HIBDMN COc1ccc([C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)N2CCCC2)cc1 ZINC000043343144 848412352 /nfs/dbraw/zinc/41/23/52/848412352.db2.gz RARIMIKDTCFZAA-IBGZPJMESA-N 0 1 418.881 4.215 20 5 HIBDMN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](NCCc1nccs1)c1ccccc1 ZINC000051164928 849438956 /nfs/dbraw/zinc/43/89/56/849438956.db2.gz UYLNJKCFPODALQ-GOSISDBHSA-N 0 1 416.890 4.217 20 5 HIBDMN O=C(Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000071959772 852446286 /nfs/dbraw/zinc/44/62/86/852446286.db2.gz DMNUWABRQQTTDL-UHFFFAOYSA-N 0 1 421.344 4.438 20 5 HIBDMN COc1cc([C@@H](C)N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1OC(C)C ZINC000106276031 852766948 /nfs/dbraw/zinc/76/69/48/852766948.db2.gz KXPCOAFGIRWYDN-CABCVRRESA-N 0 1 401.463 4.068 20 5 HIBDMN COc1ccc2[nH]cc(C3CCN([C@@H](C)C(=O)Nc4ccc([N+](=O)[O-])cc4)CC3)c2c1 ZINC000108971624 852902009 /nfs/dbraw/zinc/90/20/09/852902009.db2.gz TYMUUGWOHNNXGZ-HNNXBMFYSA-N 0 1 422.485 4.291 20 5 HIBDMN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437243157 862457847 /nfs/dbraw/zinc/45/78/47/862457847.db2.gz ACIJLUZYRLSUEL-OAHLLOKOSA-N 0 1 421.419 4.350 20 5 HIBDMN COc1cccc(NC(=O)[C@H](NCCc2ccc([N+](=O)[O-])cc2)c2ccccc2)c1 ZINC000140105404 853434531 /nfs/dbraw/zinc/43/45/31/853434531.db2.gz MJHGTJRSGXVLML-JOCHJYFZSA-N 0 1 405.454 4.116 20 5 HIBDMN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](NC[C@@H]1CCCCO1)c1ccccc1 ZINC000141352830 853469127 /nfs/dbraw/zinc/46/91/27/853469127.db2.gz LQWYNULSFFNNOL-QFBILLFUSA-N 0 1 403.866 4.087 20 5 HIBDMN CCOc1cccc2cc([C@@H](C)NCC(=O)Nc3ccc([N+](=O)[O-])cc3OC)oc21 ZINC000216756681 853858609 /nfs/dbraw/zinc/85/86/09/853858609.db2.gz RVSSHEMQDQFMNG-CYBMUJFWSA-N 0 1 413.430 4.038 20 5 HIBDMN COc1ccc([C@@H](NCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000217114141 853860340 /nfs/dbraw/zinc/86/03/40/853860340.db2.gz KNGXXZMTLPAVGY-IBGZPJMESA-N 0 1 408.401 4.454 20 5 HIBDMN CCN(CC)[C@@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccco1 ZINC000236858615 853930054 /nfs/dbraw/zinc/93/00/54/853930054.db2.gz IEGGKILYQGTXGH-SFHVURJKSA-N 0 1 400.504 4.484 20 5 HIBDMN CCN(CC)c1ccc(CNCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)cn1 ZINC000236967280 853944356 /nfs/dbraw/zinc/94/43/56/853944356.db2.gz INIJIAROPGFGQY-UHFFFAOYSA-N 0 1 410.474 4.394 20 5 HIBDMN COc1cc(CNCc2cccc3cccnc32)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237209002 853981805 /nfs/dbraw/zinc/98/18/05/853981805.db2.gz JZBDXUNNRFFMCJ-UHFFFAOYSA-N 0 1 421.375 4.383 20 5 HIBDMN C[C@@H](NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C(=O)NC(C)(C)C ZINC000237407004 854025763 /nfs/dbraw/zinc/02/57/63/854025763.db2.gz LKDQKCHWQXGWAM-CYBMUJFWSA-N 0 1 405.882 4.433 20 5 HIBDMN Cn1cc(CNCc2ccnc(OC3CCCC3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237782044 854096294 /nfs/dbraw/zinc/09/62/94/854096294.db2.gz WSAJOYFUBNGKNQ-UHFFFAOYSA-N 0 1 407.474 4.002 20 5 HIBDMN O=C(Nc1ccccc1)[C@@H](Cc1ccccc1)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000237913455 854118016 /nfs/dbraw/zinc/11/80/16/854118016.db2.gz UAPWOXCCQXTEEI-SNMYMPMCSA-N 0 1 401.466 4.448 20 5 HIBDMN O=[N+]([O-])c1ccc(N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)c(Br)c1 ZINC000301446236 854397189 /nfs/dbraw/zinc/39/71/89/854397189.db2.gz VQUYJBWHOODKTL-UHFFFAOYSA-N 0 1 419.201 4.483 20 5 HIBDMN O=[N+]([O-])c1cc(Cl)cnc1N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000301747526 854458119 /nfs/dbraw/zinc/45/81/19/854458119.db2.gz RBMXKUJZYNUNJU-UHFFFAOYSA-N 0 1 414.815 4.374 20 5 HIBDMN CN1CCN(C[C@@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c2ccccc2)CC1 ZINC000301813028 854469350 /nfs/dbraw/zinc/46/93/50/854469350.db2.gz FMGGQFHYUAZSNQ-GOSISDBHSA-N 0 1 408.424 4.014 20 5 HIBDMN CC(=O)c1ccc(N2CCN(c3cc(C)nc4ccc([N+](=O)[O-])cc43)CC2)c(F)c1 ZINC000302177128 854543652 /nfs/dbraw/zinc/54/36/52/854543652.db2.gz NDHURMDNGAHSNK-UHFFFAOYSA-N 0 1 408.433 4.120 20 5 HIBDMN Cc1cc(NC2CCN(Cc3ccccn3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302717264 854611499 /nfs/dbraw/zinc/61/14/99/854611499.db2.gz YSDVFKNVHPYYHW-UHFFFAOYSA-N 0 1 405.296 4.137 20 5 HIBDMN COc1ccc([C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c2ccc(F)cc2)cc1 ZINC000303044189 854737098 /nfs/dbraw/zinc/73/70/98/854737098.db2.gz WVMSUDHCFNBLSH-FQEVSTJZSA-N 0 1 420.400 4.138 20 5 HIBDMN O=C(NCC1CCN(Cc2ccccc2Cl)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000303253720 854837225 /nfs/dbraw/zinc/83/72/25/854837225.db2.gz BKQCWHMFXWIPEE-UHFFFAOYSA-N 0 1 405.857 4.029 20 5 HIBDMN Cc1ccc([C@H](CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)N2CCCC2)o1 ZINC000426295567 856227388 /nfs/dbraw/zinc/22/73/88/856227388.db2.gz NVYYLRVGDGTTBI-FQEVSTJZSA-N 0 1 412.490 4.007 20 5 HIBDMN O=C([O-])C[C@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(F)cc1F ZINC000426827088 856502081 /nfs/dbraw/zinc/50/20/81/856502081.db2.gz HFVQBOLHAATROQ-SFHVURJKSA-N 0 1 402.353 4.439 20 5 HIBDMN Cc1cc(C2CCN(C(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000427079643 856624613 /nfs/dbraw/zinc/62/46/13/856624613.db2.gz ZAESSUVVHBPUCS-UHFFFAOYSA-N 0 1 420.469 4.225 20 5 HIBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000437465977 862827948 /nfs/dbraw/zinc/82/79/48/862827948.db2.gz HRNURRAGCWIWSL-MSOLQXFVSA-N 0 1 413.543 4.198 20 5 HIBDMN O=C(Nc1nc2ccc(F)cc2[nH]1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000428036222 857051571 /nfs/dbraw/zinc/05/15/71/857051571.db2.gz GUIIBURJKRESBK-UHFFFAOYSA-N 0 1 408.339 4.227 20 5 HIBDMN Cc1ccc(NC(=O)[C@H](N[C@@H]2Cc3cccc(O)c3C2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000429235348 857568287 /nfs/dbraw/zinc/56/82/87/857568287.db2.gz IQMOSLDZDVPBOD-WZONZLPQSA-N 0 1 417.465 4.046 20 5 HIBDMN C[C@@H]1C[C@]2(CCO1)CN(Cc1ccc(-c3ccc([N+](=O)[O-])cc3)s1)C[C@H](C)O2 ZINC000430769522 858297824 /nfs/dbraw/zinc/29/78/24/858297824.db2.gz WCJHESZNLBTAEF-VWKPWSFCSA-N 0 1 402.516 4.482 20 5 HIBDMN CC(C)c1[nH]nc(C(=O)N2CCC(c3cccc(Br)c3)CC2)c1[N+](=O)[O-] ZINC000467838802 881676223 /nfs/dbraw/zinc/67/62/23/881676223.db2.gz KSPVTJACGLHSAT-UHFFFAOYSA-N 0 1 421.295 4.224 20 5 HIBDMN C[C@H](NCc1cccc(NC(=O)NCc2ccncc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000467867114 881722909 /nfs/dbraw/zinc/72/29/09/881722909.db2.gz NSWPYZUVEFIJPI-INIZCTEOSA-N 0 1 405.458 4.162 20 5 HIBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ccc(F)c(F)c1F ZINC000438802223 864292722 /nfs/dbraw/zinc/29/27/22/864292722.db2.gz PCKDKHDKYCKERP-UHFFFAOYSA-N 0 1 401.149 4.120 20 5 HIBDMN CCc1ccc([C@H](NC2CCN(c3cc(C)[nH]n3)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000439140696 864573889 /nfs/dbraw/zinc/57/38/89/864573889.db2.gz IRAIDTIVYIVDMT-JOCHJYFZSA-N 0 1 409.490 4.130 20 5 HIBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC([C@@H]3CCCO3)CC2)cc1OC ZINC000439299165 864725327 /nfs/dbraw/zinc/72/53/27/864725327.db2.gz PBAHWDDHCMZBLG-JXFKEZNVSA-N 0 1 406.523 4.419 20 5 HIBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000439440877 864833164 /nfs/dbraw/zinc/83/31/64/864833164.db2.gz RBWQBYVEFMQFQH-PXAZEXFGSA-N 0 1 405.380 4.480 20 5 HIBDMN COc1ccc(NC(=O)[C@H](NCCc2ccccc2[N+](=O)[O-])c2ccccc2)cc1 ZINC000467973535 881829773 /nfs/dbraw/zinc/82/97/73/881829773.db2.gz NSHKVEFDFJXNOU-JOCHJYFZSA-N 0 1 405.454 4.116 20 5 HIBDMN C[C@@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000441266094 866339609 /nfs/dbraw/zinc/33/96/09/866339609.db2.gz UKIPWWWNEVZQQX-KZULUSFZSA-N 0 1 407.392 4.296 20 5 HIBDMN Cc1ccc([C@@H](Cn2ccnc2)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000441370209 866438862 /nfs/dbraw/zinc/43/88/62/866438862.db2.gz HDJVBJQTZKDIAN-WIYYLYMNSA-N 0 1 421.501 4.075 20 5 HIBDMN COc1ccccc1[C@@H](CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)N1CCCC1 ZINC000443961720 868495085 /nfs/dbraw/zinc/49/50/85/868495085.db2.gz JYVRHLHSSHFAAS-LJQANCHMSA-N 0 1 412.490 4.179 20 5 HIBDMN C[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(OCc2ccccc2)c1 ZINC000444734028 868981183 /nfs/dbraw/zinc/98/11/83/868981183.db2.gz RMOJWLLTWIUDNW-KRWDZBQOSA-N 0 1 405.454 4.463 20 5 HIBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000444919125 869104728 /nfs/dbraw/zinc/10/47/28/869104728.db2.gz JCUXHTSQXOXQCA-UHFFFAOYSA-N 0 1 418.881 4.043 20 5 HIBDMN C[C@@H](N[C@@H](c1cccnc1)C1CC1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000445814557 869836805 /nfs/dbraw/zinc/83/68/05/869836805.db2.gz ZHCGJCAFXHZIQE-BFUOFWGJSA-N 0 1 423.498 4.181 20 5 HIBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000446484011 870397327 /nfs/dbraw/zinc/39/73/27/870397327.db2.gz FYKNSKKPLXKMBV-MRXNPFEDSA-N 0 1 422.407 4.318 20 5 HIBDMN O=C(NCc1ccco1)c1cccc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000447546461 871415616 /nfs/dbraw/zinc/41/56/16/871415616.db2.gz WBIMKJSZBMMZFH-QFIPXVFZSA-N 0 1 405.454 4.285 20 5 HIBDMN O=C1[C@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCN1Cc1ccc(F)cc1F ZINC000447599973 871507657 /nfs/dbraw/zinc/50/76/57/871507657.db2.gz LEPJLBCDFCTNIO-LEWJYISDSA-N 0 1 415.440 4.031 20 5 HIBDMN COc1cc(C(=O)Nc2c(C)noc2-c2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000460457641 873135889 /nfs/dbraw/zinc/13/58/89/873135889.db2.gz LSRJQGCAWRMKRV-UHFFFAOYSA-N 0 1 419.340 4.421 20 5 HIBDMN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cc(Cl)ccc1N1CCN(C)CC1 ZINC000460458584 873137557 /nfs/dbraw/zinc/13/75/57/873137557.db2.gz HMSSOFDHMUYCLD-UHFFFAOYSA-N 0 1 423.300 4.214 20 5 HIBDMN Cc1cccnc1[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000462138260 875238220 /nfs/dbraw/zinc/23/82/20/875238220.db2.gz WDSPUJJGQPAHHF-CQSZACIVSA-N 0 1 418.302 4.281 20 5 HIBDMN C[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000462138448 875238500 /nfs/dbraw/zinc/23/85/00/875238500.db2.gz LXFITQVEOGHIQN-SSDOTTSWSA-N 0 1 411.213 4.219 20 5 HIBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)Cc2cccc(C(F)(F)F)c2)c2cccnc21 ZINC000462362132 875475137 /nfs/dbraw/zinc/47/51/37/875475137.db2.gz VIWODYZQVYPISS-UHFFFAOYSA-N 0 1 411.361 4.104 20 5 HIBDMN CC[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000462485401 875595953 /nfs/dbraw/zinc/59/59/53/875595953.db2.gz WWDMQMQYGZSFHM-CQSZACIVSA-N 0 1 419.286 4.340 20 5 HIBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1CCc2cc(F)ccc21 ZINC000462514821 875631876 /nfs/dbraw/zinc/63/18/76/875631876.db2.gz VQUBMAYWOMTIMA-CYBMUJFWSA-N 0 1 405.234 4.007 20 5 HIBDMN O=[N+]([O-])c1cccc(OCc2nc(-c3ccc4[nH]c(-c5cscn5)nc4c3)no2)c1 ZINC000463174556 876231709 /nfs/dbraw/zinc/23/17/09/876231709.db2.gz WJXVLHJOCDIEOT-UHFFFAOYSA-N 0 1 420.410 4.224 20 5 HIBDMN O=[N+]([O-])c1cccc(Cc2nc(-c3ccc4[nH]c(-c5cscn5)nc4c3)no2)c1 ZINC000463181611 876239055 /nfs/dbraw/zinc/23/90/55/876239055.db2.gz CLHWGLQNMGMQRI-UHFFFAOYSA-N 0 1 404.411 4.235 20 5 HIBDMN O=[N+]([O-])c1cc(F)cc(-c2nc(-c3ccc4[nH]c(-c5cscn5)nc4c3)no2)c1 ZINC000463183191 876240104 /nfs/dbraw/zinc/24/01/04/876240104.db2.gz HLAQJENCRVCJTB-UHFFFAOYSA-N 0 1 408.374 4.451 20 5 HIBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000503411836 912394791 /nfs/dbraw/zinc/39/47/91/912394791.db2.gz QWQYTFNJWAYPDQ-WBVHZDCISA-N 0 1 422.489 4.118 20 5 HIBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3nc(Cc4ccccc4)oc3c2)cc1 ZINC000466290593 880034957 /nfs/dbraw/zinc/03/49/57/880034957.db2.gz URLAHNBNMSGOLO-UHFFFAOYSA-N 0 1 409.423 4.128 20 5 HIBDMN COc1cc(S(=O)(=O)Nc2cccc(CSC(C)C)c2C)ccc1[N+](=O)[O-] ZINC000469082178 883167171 /nfs/dbraw/zinc/16/71/71/883167171.db2.gz WTZWOIKUFSLJAH-UHFFFAOYSA-N 0 1 410.517 4.354 20 5 HIBDMN CS(=O)(=O)c1ccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)s1 ZINC000469242434 883341012 /nfs/dbraw/zinc/34/10/12/883341012.db2.gz SUEQLMOVHIKYFO-UHFFFAOYSA-N 0 1 408.526 4.078 20 5 HIBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000470184163 884474008 /nfs/dbraw/zinc/47/40/08/884474008.db2.gz QSDNSBNMOJATCO-JZJYNLBNSA-N 0 1 407.514 4.165 20 5 HIBDMN CN(C)[C@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)c1cccc(C(F)(F)F)c1 ZINC000470599573 885024603 /nfs/dbraw/zinc/02/46/03/885024603.db2.gz JXHSHHZTDYUQAZ-GOSISDBHSA-N 0 1 420.391 4.128 20 5 HIBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nnc(-c2cccc(Cl)c2)s1 ZINC000470882451 885375989 /nfs/dbraw/zinc/37/59/89/885375989.db2.gz ZEHSDPRZKYHNSV-UHFFFAOYSA-N 0 1 404.835 4.418 20 5 HIBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000471049358 885563213 /nfs/dbraw/zinc/56/32/13/885563213.db2.gz WZSXKSYMCGPIHI-UHFFFAOYSA-N 0 1 404.835 4.418 20 5 HIBDMN COc1cccc([C@@H]2[C@H](NC(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)CCN2C2CC2)c1 ZINC000471937583 886734628 /nfs/dbraw/zinc/73/46/28/886734628.db2.gz SUFHXOLWVWXCIK-DENIHFKCSA-N 0 1 424.501 4.320 20 5 HIBDMN COc1cccc([C@H]2[C@H](NC(=O)Nc3ccc([N+](=O)[O-])c(C)c3)CCN2C2CC2)c1 ZINC000471952392 886759305 /nfs/dbraw/zinc/75/93/05/886759305.db2.gz GQWACNSYRZZEGU-CTNGQTDRSA-N 0 1 410.474 4.011 20 5 HIBDMN Cc1nn(CCC(=O)Nc2ccc3nc(C4CCCCC4)[nH]c3c2)c(C)c1[N+](=O)[O-] ZINC000474259126 889114925 /nfs/dbraw/zinc/11/49/25/889114925.db2.gz TZTFFZARODGETR-UHFFFAOYSA-N 0 1 410.478 4.361 20 5 HIBDMN COC(=O)C[C@@](C)(NCc1ccc(-c2ccccc2[N+](=O)[O-])s1)c1ccncc1 ZINC000475092657 889939202 /nfs/dbraw/zinc/93/92/02/889939202.db2.gz FDCWFAKKVRXDMD-OAQYLSRUSA-N 0 1 411.483 4.286 20 5 HIBDMN CN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475314156 890229322 /nfs/dbraw/zinc/22/93/22/890229322.db2.gz RVTHWOBNUSPKNK-IBGZPJMESA-N 0 1 422.510 4.065 20 5 HIBDMN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000475632102 890572675 /nfs/dbraw/zinc/57/26/75/890572675.db2.gz DBVMKMXREVIZKO-QGZVFWFLSA-N 0 1 406.446 4.366 20 5 HIBDMN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000475632102 890572681 /nfs/dbraw/zinc/57/26/81/890572681.db2.gz DBVMKMXREVIZKO-QGZVFWFLSA-N 0 1 406.446 4.366 20 5 HIBDMN COc1cccc([C@H](CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])N2CCCC2)c1 ZINC000477304641 892267947 /nfs/dbraw/zinc/26/79/47/892267947.db2.gz CUWRKBZMIVSTBF-IBGZPJMESA-N 0 1 417.893 4.132 20 5 HIBDMN O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1 ZINC000477464900 892436085 /nfs/dbraw/zinc/43/60/85/892436085.db2.gz GVYXMUZCFFVUMS-UHFFFAOYSA-N 0 1 417.400 4.367 20 5 HIBDMN CCN(C[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1)CC(F)(F)F ZINC000477759753 892850214 /nfs/dbraw/zinc/85/02/14/892850214.db2.gz NFGOIDJSLMLWMX-OAHLLOKOSA-N 0 1 403.445 4.088 20 5 HIBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(c2ccc(Br)cc2)CC1 ZINC000505168041 913857511 /nfs/dbraw/zinc/85/75/11/913857511.db2.gz PUVHJLLJHYZISP-UHFFFAOYSA-N 0 1 405.248 4.083 20 5 HIBDMN CCC[C@@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(=O)N1CCc2sccc2C1 ZINC000482250178 897731549 /nfs/dbraw/zinc/73/15/49/897731549.db2.gz XZDLVUQZQHEREF-CRAIPNDOSA-N 0 1 401.532 4.369 20 5 HIBDMN O=[N+]([O-])c1ccc(CN[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)c(Cl)c1 ZINC000482502606 898085495 /nfs/dbraw/zinc/08/54/95/898085495.db2.gz LLTVJVBUSVUQLL-HNNXBMFYSA-N 0 1 411.771 4.264 20 5 HIBDMN O=C1CCCN1[C@H]1CCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000483438380 899071401 /nfs/dbraw/zinc/07/14/01/899071401.db2.gz MRRQWNUUALJTQL-KRWDZBQOSA-N 0 1 415.877 4.237 20 5 HIBDMN COc1ccccc1-c1nc(C2CCN(Cc3cccc([N+](=O)[O-])c3C)CC2)no1 ZINC000484309333 899869020 /nfs/dbraw/zinc/86/90/20/899869020.db2.gz OOAANXQEVPTVTI-UHFFFAOYSA-N 0 1 408.458 4.341 20 5 HIBDMN Cc1ccccc1O[C@@H]1CCCC[C@H]1NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000484655028 900099602 /nfs/dbraw/zinc/09/96/02/900099602.db2.gz YJRJCFYKEMBOSG-UYAOXDASSA-N 0 1 408.458 4.433 20 5 HIBDMN Cc1ccc(C=Cc2n[nH]c(SCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)n2)o1 ZINC000485099017 900407631 /nfs/dbraw/zinc/40/76/31/900407631.db2.gz GCSZYKZGRLKGRT-CMDGGOBGSA-N 0 1 410.415 4.127 20 5 HIBDMN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(Cl)ccc1Br ZINC000485395712 900692624 /nfs/dbraw/zinc/69/26/24/900692624.db2.gz HFVMPHTVWAXVLZ-UHFFFAOYSA-N 0 1 405.657 4.120 20 5 HIBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)Cc2ccccc2C(F)(F)F)c2cccnc21 ZINC000485448800 900743454 /nfs/dbraw/zinc/74/34/54/900743454.db2.gz FJSHQOARSCPRLV-UHFFFAOYSA-N 0 1 411.361 4.104 20 5 HIBDMN COc1cc(CN2CC[C@H](COc3ccccc3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000505841487 914492653 /nfs/dbraw/zinc/49/26/53/914492653.db2.gz WARJWKKSJOXOJV-HNNXBMFYSA-N 0 1 422.428 4.148 20 5 HIBDMN O=[N+]([O-])c1cc(CNCc2c[nH]nc2-c2ccc3c(c2)OCO3)cc(C(F)(F)F)c1 ZINC000487172764 902085656 /nfs/dbraw/zinc/08/56/56/902085656.db2.gz OSRPLGVZNOONQO-UHFFFAOYSA-N 0 1 420.347 4.022 20 5 HIBDMN O=[N+]([O-])c1cc(CNCc2ccc(OC[C@H]3CCCO3)cc2)cc(C(F)(F)F)c1 ZINC000487186772 902091197 /nfs/dbraw/zinc/09/11/97/902091197.db2.gz KZCJHIGAUZQPNQ-LJQANCHMSA-N 0 1 410.392 4.461 20 5 HIBDMN O=C(Nc1nc(-c2ccccn2)n[nH]1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000487457596 902218098 /nfs/dbraw/zinc/21/80/98/902218098.db2.gz ADKZGQGHWJLLBE-UHFFFAOYSA-N 0 1 418.438 4.178 20 5 HIBDMN C[C@@H](N[C@H](C)c1ccc(Oc2cccnc2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000487845615 902403503 /nfs/dbraw/zinc/40/35/03/902403503.db2.gz XALQYOJUJOIVOR-HZPDHXFCSA-N 0 1 406.442 4.460 20 5 HIBDMN C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1cccc(Cl)c1 ZINC000487956369 902482128 /nfs/dbraw/zinc/48/21/28/902482128.db2.gz LFPGZTHIVWDSHC-SNVBAGLBSA-N 0 1 412.671 4.300 20 5 HIBDMN COc1cc(CN2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)ccc1[N+](=O)[O-] ZINC000489231176 903277405 /nfs/dbraw/zinc/27/74/05/903277405.db2.gz IULWSXILYRBQKY-HXUWFJFHSA-N 0 1 415.877 4.205 20 5 HIBDMN COc1ccccc1[C@@H]1CCN(Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000490339562 903929727 /nfs/dbraw/zinc/92/97/27/903929727.db2.gz JMSODWUQOBMGTK-CQSZACIVSA-N 0 1 422.428 4.245 20 5 HIBDMN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000491055877 904399670 /nfs/dbraw/zinc/39/96/70/904399670.db2.gz IDCYAXGWCSECIV-UHFFFAOYSA-N 0 1 416.478 4.331 20 5 HIBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000491085078 904418285 /nfs/dbraw/zinc/41/82/85/904418285.db2.gz LWHYHVPOZXDTES-KRWDZBQOSA-N 0 1 413.543 4.443 20 5 HIBDMN COc1cc(CN2CC[C@H](c3cccc(F)c3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491082073 904418684 /nfs/dbraw/zinc/41/86/84/904418684.db2.gz ZPYPGNDXEATAAS-AWEZNQCLSA-N 0 1 410.392 4.376 20 5 HIBDMN Cc1c(NS(=O)(=O)c2cccc(Cl)c2Br)cccc1[N+](=O)[O-] ZINC000491769710 904697006 /nfs/dbraw/zinc/69/70/06/904697006.db2.gz YOUOELDAPLLRJS-UHFFFAOYSA-N 0 1 405.657 4.120 20 5 HIBDMN Cc1sc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)nc1-c1c(F)cc(F)cc1F ZINC000506209532 914845634 /nfs/dbraw/zinc/84/56/34/914845634.db2.gz KUICLLZUEJEFBZ-UHFFFAOYSA-N 0 1 409.345 4.402 20 5 HIBDMN COc1ccc([C@H](NCCn2ccc([N+](=O)[O-])n2)c2ccc(C(F)(F)F)cc2)cc1 ZINC000492577097 904870233 /nfs/dbraw/zinc/87/02/33/904870233.db2.gz DNCURVFPXORQNN-LJQANCHMSA-N 0 1 420.391 4.198 20 5 HIBDMN CCOc1cc(CN[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000492872399 904930061 /nfs/dbraw/zinc/93/00/61/904930061.db2.gz KUFWNGKGDHHTSZ-QGZVFWFLSA-N 0 1 421.379 4.010 20 5 HIBDMN O=C(c1[nH]nc2ccc(Br)cc21)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000492963283 904967892 /nfs/dbraw/zinc/96/78/92/904967892.db2.gz RUDKWZAYSRYCQT-UHFFFAOYSA-N 0 1 415.247 4.038 20 5 HIBDMN CC(=O)Nc1cccc(OCCN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1 ZINC000493988745 905332053 /nfs/dbraw/zinc/33/20/53/905332053.db2.gz HPIGPZKSIZCTLD-QHCPKHFHSA-N 0 1 405.454 4.311 20 5 HIBDMN COc1cc([C@H](C)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc(OC)c1OC ZINC000494465505 905748740 /nfs/dbraw/zinc/74/87/40/905748740.db2.gz NEXGIKMSRJYGCQ-NSHDSACASA-N 0 1 414.380 4.490 20 5 HIBDMN Cc1ccccc1[C@H](CN1CCOCC1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494480757 905762977 /nfs/dbraw/zinc/76/29/77/905762977.db2.gz AGSRFHGGOGFTLC-FQEVSTJZSA-N 0 1 423.435 4.085 20 5 HIBDMN COc1ccc(CCCN(C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000497471934 906954332 /nfs/dbraw/zinc/95/43/32/906954332.db2.gz ISSOCUULAHQWFW-CQSZACIVSA-N 0 1 405.882 4.148 20 5 HIBDMN Cc1c(NC(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cccc1[N+](=O)[O-] ZINC000512737320 921299456 /nfs/dbraw/zinc/29/94/56/921299456.db2.gz ZYHKKRLPQNEWEA-INIZCTEOSA-N 0 1 422.407 4.318 20 5 HIBDMN COc1cc(CNCc2nc3cccc(C)c3[nH]2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000498352551 907853801 /nfs/dbraw/zinc/85/38/01/907853801.db2.gz HVMPELAHTJXKPZ-UHFFFAOYSA-N 0 1 424.379 4.019 20 5 HIBDMN CC(C)c1ccc(CN[C@](C)(CO)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000512857035 921359830 /nfs/dbraw/zinc/35/98/30/921359830.db2.gz PNVMYAWCGVKCBU-LJQANCHMSA-N 0 1 407.308 4.478 20 5 HIBDMN CC(C)c1ccc(CN[C@@](C)(CO)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000512857033 921360339 /nfs/dbraw/zinc/36/03/39/921360339.db2.gz PNVMYAWCGVKCBU-IBGZPJMESA-N 0 1 407.308 4.478 20 5 HIBDMN C[C@H](NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C1(S(C)(=O)=O)CC1 ZINC000512865553 921365405 /nfs/dbraw/zinc/36/54/05/921365405.db2.gz UGCQELOMGDCUSA-ZDUSSCGKSA-N 0 1 424.906 4.096 20 5 HIBDMN COc1cccc([C@@H]2[C@H](NC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CCN2C2CC2)c1 ZINC000498561102 908022299 /nfs/dbraw/zinc/02/22/99/908022299.db2.gz QHRRPEZOPZWCDP-TZIWHRDSSA-N 0 1 410.474 4.011 20 5 HIBDMN COc1cc(CNCC2(C(F)(F)F)CCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000512976863 921449362 /nfs/dbraw/zinc/44/93/62/921449362.db2.gz BOFNJJXUNWUBGE-UHFFFAOYSA-N 0 1 416.318 4.367 20 5 HIBDMN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](NCC[C@@H]1CCCCO1)c1ccccc1 ZINC000502619404 911643305 /nfs/dbraw/zinc/64/33/05/911643305.db2.gz VEAWBLUUXHUSOQ-PXNSSMCTSA-N 0 1 417.893 4.477 20 5 HIBDMN CC[C@H](NC(=O)c1cc(Br)cc2nc[nH]c21)c1cccc([N+](=O)[O-])c1 ZINC000502992794 911969304 /nfs/dbraw/zinc/96/93/04/911969304.db2.gz QCJURXGZYLKIFJ-AWEZNQCLSA-N 0 1 403.236 4.115 20 5 HIBDMN CC[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC)c(OC)c1 ZINC000506667582 915343622 /nfs/dbraw/zinc/34/36/22/915343622.db2.gz CRDXNHPQUOOECA-BLLLJJGKSA-N 0 1 421.881 4.333 20 5 HIBDMN COc1ccc(OC)c([C@@H]2CCCN2Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000506732907 915418863 /nfs/dbraw/zinc/41/88/63/915418863.db2.gz AUQMEWJPIXUNPB-NRFANRHFSA-N 0 1 422.485 4.350 20 5 HIBDMN CC(C)(NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cccc(C(F)(F)F)c1 ZINC000507939525 916808499 /nfs/dbraw/zinc/80/84/99/916808499.db2.gz VSOOUURSIDDDMI-UHFFFAOYSA-N 0 1 407.392 4.028 20 5 HIBDMN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000507944647 916810082 /nfs/dbraw/zinc/81/00/82/916810082.db2.gz MKJUGBOSNLTHOI-UHFFFAOYSA-N 0 1 411.849 4.053 20 5 HIBDMN C[C@@H](NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)C(=O)NCc1ccccc1 ZINC000507947496 916810970 /nfs/dbraw/zinc/81/09/70/916810970.db2.gz FFCCQLWECKDQML-GOSISDBHSA-N 0 1 418.497 4.157 20 5 HIBDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)CCCNc4ccc([N+](=O)[O-])cc4)C3)[nH]c2c1 ZINC000508236443 917054729 /nfs/dbraw/zinc/05/47/29/917054729.db2.gz MCSLAWGHALOJCU-QGZVFWFLSA-N 0 1 421.501 4.378 20 5 HIBDMN CCCN(C(=O)c1cc([N+](=O)[O-])c(C)s1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000508454611 917239481 /nfs/dbraw/zinc/23/94/81/917239481.db2.gz ILSBWEMOMFFIDY-GOSISDBHSA-N 0 1 401.532 4.482 20 5 HIBDMN CCN1CCN(c2ccc(F)cc2[C@H](C)NCc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000509030813 917785312 /nfs/dbraw/zinc/78/53/12/917785312.db2.gz KCRNDQAFLYWXFR-AWEZNQCLSA-N 0 1 422.451 4.005 20 5 HIBDMN COc1cc(CN2CCC[C@@H](c3ncc[nH]3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000510537887 918982001 /nfs/dbraw/zinc/98/20/01/918982001.db2.gz KMCZUILAJWVRHY-GOSISDBHSA-N 0 1 422.485 4.285 20 5 HIBDMN CCCCNC(=O)[C@H]1CC[C@@H](C)N(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000511496261 920105803 /nfs/dbraw/zinc/10/58/03/920105803.db2.gz UGRDPPXTAOTBAF-WBVHZDCISA-N 0 1 416.547 4.235 20 5 HIBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc3[nH]c(-c4cccc(F)c4)nc3c2)c1 ZINC000511738108 920411701 /nfs/dbraw/zinc/41/17/01/920411701.db2.gz OHVSIJBTSWBFLN-UHFFFAOYSA-N 0 1 412.402 4.078 20 5 HIBDMN COc1ccc([C@H]2CCN(Cc3cc(OC)c(OC(F)F)cc3[N+](=O)[O-])C2)cc1 ZINC000512337879 921084050 /nfs/dbraw/zinc/08/40/50/921084050.db2.gz JTRQBXNGKQEJSU-AWEZNQCLSA-N 0 1 408.401 4.203 20 5 HIBDMN CC(=O)NCC[C@H]1CCCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000514635048 922736653 /nfs/dbraw/zinc/73/66/53/922736653.db2.gz QMLNUPYSLYCIOY-QGZVFWFLSA-N 0 1 415.465 4.264 20 5 HIBDMN CCOc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OCC ZINC000514786588 922802756 /nfs/dbraw/zinc/80/27/56/922802756.db2.gz HEHPTPZQQBGTHC-HUUCEWRRSA-N 0 1 401.463 4.070 20 5 HIBDMN Cc1c(Cl)cc(S(=O)(=O)Nc2ccc(-c3nccs3)cc2)cc1[N+](=O)[O-] ZINC000515630101 923229417 /nfs/dbraw/zinc/22/94/17/923229417.db2.gz XQXDFDBRNJIPFD-UHFFFAOYSA-N 0 1 409.876 4.481 20 5 HIBDMN O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000516767288 923882291 /nfs/dbraw/zinc/88/22/91/923882291.db2.gz AJZCRPHLPMLYGA-FQEVSTJZSA-N 0 1 421.457 4.175 20 5 HIBDMN Cc1[nH]c(S[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)nc1Cc1ccccc1 ZINC000517554937 924262329 /nfs/dbraw/zinc/26/23/29/924262329.db2.gz MDGMKOWGEHDEFE-LJQANCHMSA-N 0 1 408.483 4.115 20 5 HIBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000517717398 926812370 /nfs/dbraw/zinc/81/23/70/926812370.db2.gz KPQGTDIUOGQQGJ-CHWSQXEVSA-N 0 1 418.240 4.429 20 5 HIBDMN O=C1[C@@H](N[C@@H]2CCSc3ccc(Cl)cc32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000518283200 927141791 /nfs/dbraw/zinc/14/17/91/927141791.db2.gz JHFSVSWRQFBRBE-SJORKVTESA-N 0 1 403.891 4.180 20 5 HIBDMN CCOc1cccc2cc([C@H](C)NS(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])oc21 ZINC000518661741 927413174 /nfs/dbraw/zinc/41/31/74/927413174.db2.gz SRXOZKHMNYOCKR-NSHDSACASA-N 0 1 424.862 4.433 20 5 HIBDMN CN1CCN(Cc2ccc(NC(=O)c3cc4ccccc4c4cccnc34)cc2)CC1 ZINC000518785431 927490245 /nfs/dbraw/zinc/49/02/45/927490245.db2.gz XHBXGUVLDHSQRP-UHFFFAOYSA-N 0 1 410.521 4.388 20 5 HIBDMN CC(C)OC[C@H](CO)N(C)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000518838410 927538880 /nfs/dbraw/zinc/53/88/80/927538880.db2.gz SPJRYFMQMXKJLE-INIZCTEOSA-N 0 1 408.882 4.258 20 5 HIBDMN CCc1c(NC(=O)c2ccc([N+](=O)[O-])o2)[nH]nc1-c1ccc(Br)cc1 ZINC000518959034 927657631 /nfs/dbraw/zinc/65/76/31/927657631.db2.gz FJZPXWKDYWZQJN-UHFFFAOYSA-N 0 1 405.208 4.155 20 5 HIBDMN C[C@H](C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000519063182 927741305 /nfs/dbraw/zinc/74/13/05/927741305.db2.gz CZWVWSDZVAQJLO-JTQLQIEISA-N 0 1 405.336 4.141 20 5 HIBDMN CC1(C)CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCN1Cc1ccccc1 ZINC000520554913 928638447 /nfs/dbraw/zinc/63/84/47/928638447.db2.gz TZRWJFNRWKUGSK-UHFFFAOYSA-N 0 1 402.882 4.377 20 5 HIBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000521468645 929235082 /nfs/dbraw/zinc/23/50/82/929235082.db2.gz DTYPAPYIUNSRRQ-UHFFFAOYSA-N 0 1 421.291 4.244 20 5 HIBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000530589665 930761557 /nfs/dbraw/zinc/76/15/57/930761557.db2.gz NVVVYFMKPQHMSR-FZKQIMNGSA-N 0 1 407.923 4.148 20 5 HIBDMN CCN(CC)S(=O)(=O)c1ccc([C@H](C)N[C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000532203027 931348023 /nfs/dbraw/zinc/34/80/23/931348023.db2.gz BQEVBVVPTRGSJI-IRXDYDNUSA-N 0 1 419.547 4.346 20 5 HIBDMN O=[N+]([O-])c1ccccc1-c1ccc(CNCCS(=O)(=O)c2ccc(F)cc2)s1 ZINC000532209671 931352371 /nfs/dbraw/zinc/35/23/71/931352371.db2.gz LBQDSRHWRXAYIQ-UHFFFAOYSA-N 0 1 420.487 4.026 20 5 HIBDMN C[C@H](c1nc2ccccc2s1)N(C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000533033080 931746935 /nfs/dbraw/zinc/74/69/35/931746935.db2.gz UTTAJVKARGXCNH-CYBMUJFWSA-N 0 1 412.471 4.196 20 5 HIBDMN COc1ccc(CN2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1[N+](=O)[O-] ZINC000533047646 931751936 /nfs/dbraw/zinc/75/19/36/931751936.db2.gz QYIVTYLSKXRVEC-MRXNPFEDSA-N 0 1 412.421 4.172 20 5 HIBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000533059691 931757736 /nfs/dbraw/zinc/75/77/36/931757736.db2.gz ZJBLBJMWCVAFAX-AWEZNQCLSA-N 0 1 418.457 4.462 20 5 HIBDMN Cc1ccc(Sc2ccc(CN[C@H](CO)CC(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000533803837 932038755 /nfs/dbraw/zinc/03/87/55/932038755.db2.gz MBKARUYOLVAYGP-AWEZNQCLSA-N 0 1 400.422 4.457 20 5 HIBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000535000047 932882515 /nfs/dbraw/zinc/88/25/15/932882515.db2.gz GGEVXAKKBYHAOE-RDTXWAMCSA-N 0 1 423.498 4.224 20 5 HIBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000535000047 932882519 /nfs/dbraw/zinc/88/25/19/932882519.db2.gz GGEVXAKKBYHAOE-RDTXWAMCSA-N 0 1 423.498 4.224 20 5 HIBDMN O=[N+]([O-])c1cc(CNCc2ccc(CO)c(F)c2)ccc1Oc1ccc(F)cc1 ZINC000535241967 933033631 /nfs/dbraw/zinc/03/36/31/933033631.db2.gz KNZCDJPFUTUEND-UHFFFAOYSA-N 0 1 400.381 4.447 20 5 HIBDMN Cc1ccc(C(=O)NC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000535673412 933320940 /nfs/dbraw/zinc/32/09/40/933320940.db2.gz XTNUHYOUSCKNNN-BEFAXECRSA-N 0 1 405.857 4.119 20 5 HIBDMN O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1csc([N+](=O)[O-])c1 ZINC000535802764 933399665 /nfs/dbraw/zinc/39/96/65/933399665.db2.gz LITFOQHYZQFBGY-UHFFFAOYSA-N 0 1 406.292 4.439 20 5 HIBDMN CCCN(C(=O)c1cccs1)C1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000535807079 933401616 /nfs/dbraw/zinc/40/16/16/933401616.db2.gz VHAIZKIGDBLXKC-UHFFFAOYSA-N 0 1 401.532 4.482 20 5 HIBDMN C[C@@H](C(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1)c1cccc([N+](=O)[O-])c1 ZINC000562403357 945071162 /nfs/dbraw/zinc/07/11/62/945071162.db2.gz GGBSJEZSRXADNH-QAPCUYQASA-N 0 1 411.506 4.270 20 5 HIBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(-c3noc(C(F)F)n3)cc2)c1C ZINC000562769411 945118789 /nfs/dbraw/zinc/11/87/89/945118789.db2.gz QSYOIOMTMXDXPM-UHFFFAOYSA-N 0 1 424.385 4.000 20 5 HIBDMN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000537549072 938320443 /nfs/dbraw/zinc/32/04/43/938320443.db2.gz POVAZDSQKRHGBM-CQSZACIVSA-N 0 1 411.849 4.053 20 5 HIBDMN COc1cccc([C@@H](CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)N2CCCC2)c1 ZINC000537650515 938347274 /nfs/dbraw/zinc/34/72/74/938347274.db2.gz GRKGVWSRZJVLRT-HXUWFJFHSA-N 0 1 411.502 4.096 20 5 HIBDMN Cc1ccc([C@@H](C)NCc2n[nH]c(-c3ccc(Br)cc3)n2)cc1[N+](=O)[O-] ZINC000537954580 938431608 /nfs/dbraw/zinc/43/16/08/938431608.db2.gz NLRNFKFIMHLWJU-GFCCVEGCSA-N 0 1 416.279 4.302 20 5 HIBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](C)c1cccc(OCc2ccccn2)c1 ZINC000538149794 938521828 /nfs/dbraw/zinc/52/18/28/938521828.db2.gz FBMVZKZJCQMRLS-QGZVFWFLSA-N 0 1 420.469 4.167 20 5 HIBDMN Cc1cc(C)cc([C@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000538216794 938560078 /nfs/dbraw/zinc/56/00/78/938560078.db2.gz CCTHCKWGDHOANL-ZDUSSCGKSA-N 0 1 406.280 4.263 20 5 HIBDMN O=C1CCCN1[C@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000538734856 938696364 /nfs/dbraw/zinc/69/63/64/938696364.db2.gz HJSOTYYDTTTXMH-HNNXBMFYSA-N 0 1 403.866 4.095 20 5 HIBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000539091107 938800973 /nfs/dbraw/zinc/80/09/73/938800973.db2.gz LCXIWRNEEIBACF-KURKYZTESA-N 0 1 411.502 4.003 20 5 HIBDMN CC[C@@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccccc1OC(F)F ZINC000539256050 938827766 /nfs/dbraw/zinc/82/77/66/938827766.db2.gz VDLOCEGEORQFDK-IAGOWNOFSA-N 0 1 405.401 4.042 20 5 HIBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](COc1ccccc1F)c1ccccc1 ZINC000539268649 938830392 /nfs/dbraw/zinc/83/03/92/938830392.db2.gz SPNVNAOTSJBKHV-OAQYLSRUSA-N 0 1 423.444 4.391 20 5 HIBDMN COc1ccc(NC(=O)CNC(C)(C)c2ccc(OCC(C)C)cc2)c([N+](=O)[O-])c1 ZINC000539317653 938840331 /nfs/dbraw/zinc/84/03/31/938840331.db2.gz UHGNJFDOMAGFAF-UHFFFAOYSA-N 0 1 415.490 4.102 20 5 HIBDMN CC(C)(C)[C@@H](COc1ccccc1F)NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000539491222 938867801 /nfs/dbraw/zinc/86/78/01/938867801.db2.gz LHBVAAIILFUKDP-GOSISDBHSA-N 0 1 414.437 4.367 20 5 HIBDMN Cc1c(NC(=O)N2CCC[C@@H](c3nnc(-c4ccccc4)[nH]3)C2)cccc1[N+](=O)[O-] ZINC000539761368 938927032 /nfs/dbraw/zinc/92/70/32/938927032.db2.gz GRGIMCOQDOCRHH-MRXNPFEDSA-N 0 1 406.446 4.100 20 5 HIBDMN COc1ccc(CN[C@@H]2CCCOc3cc(Br)ccc32)cc1[N+](=O)[O-] ZINC000540194433 939120090 /nfs/dbraw/zinc/12/00/90/939120090.db2.gz IJFPEEQOLAESHY-OAHLLOKOSA-N 0 1 407.264 4.369 20 5 HIBDMN CCOc1ccccc1[C@H](CC)N[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000540352508 939204303 /nfs/dbraw/zinc/20/43/03/939204303.db2.gz OMSSAIUYIIETFA-PBHICJAKSA-N 0 1 401.463 4.070 20 5 HIBDMN COc1cc(CN[C@@H](C)c2ccccc2-n2cccn2)c([N+](=O)[O-])cc1OC(F)F ZINC000540360309 939209103 /nfs/dbraw/zinc/20/91/03/939209103.db2.gz UOTUNXNBMYUGJG-ZDUSSCGKSA-N 0 1 418.400 4.241 20 5 HIBDMN COc1cc([C@H](C)NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OCC(C)C ZINC000540364412 939211054 /nfs/dbraw/zinc/21/10/54/939211054.db2.gz BXQLVRINNFPNDB-INIZCTEOSA-N 0 1 415.490 4.236 20 5 HIBDMN Cc1nc(-c2ccccc2)sc1[C@@H](C)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000541661556 939594003 /nfs/dbraw/zinc/59/40/03/939594003.db2.gz OSZONEJCXGAGCA-CQSZACIVSA-N 0 1 422.510 4.267 20 5 HIBDMN COc1ccc([C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)N2CCCCC2)cc1 ZINC000541780470 939628279 /nfs/dbraw/zinc/62/82/79/939628279.db2.gz NSILWHCFRAYBRB-HXUWFJFHSA-N 0 1 416.453 4.091 20 5 HIBDMN C[C@@H](C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)n[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000541799390 939635983 /nfs/dbraw/zinc/63/59/83/939635983.db2.gz XDRWSEJRSXHVIC-SECBINFHSA-N 0 1 423.326 4.280 20 5 HIBDMN CN(Cc1ccccc1)Cc1cccc(C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000542225417 939764264 /nfs/dbraw/zinc/76/42/64/939764264.db2.gz IGYZGDOPZKPECF-UHFFFAOYSA-N 0 1 415.493 4.425 20 5 HIBDMN Cc1[nH]ncc1CCCNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000542689655 939854407 /nfs/dbraw/zinc/85/44/07/939854407.db2.gz OSTKNRHPZRBFJF-UHFFFAOYSA-N 0 1 402.520 4.271 20 5 HIBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CN(Cc1cccs1)Cc1cccs1 ZINC000543138291 939965768 /nfs/dbraw/zinc/96/57/68/939965768.db2.gz COOSFDKVGWFYQR-OAHLLOKOSA-N 0 1 404.513 4.160 20 5 HIBDMN CCc1ccc([C@H](N[C@H]2CCO[C@]3(CCSC3)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543422442 940060148 /nfs/dbraw/zinc/06/01/48/940060148.db2.gz GKFPZAXLBWDYOG-ZLGUVYLKSA-N 0 1 402.516 4.484 20 5 HIBDMN Cc1c(Br)c(NC2CCN([C@H](C)c3ccncc3)CC2)ncc1[N+](=O)[O-] ZINC000543437485 940063899 /nfs/dbraw/zinc/06/38/99/940063899.db2.gz VSODFEIZGLGYEA-CYBMUJFWSA-N 0 1 420.311 4.093 20 5 HIBDMN CC[C@H](N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)[C@H]1CCCO1 ZINC000543491754 940082378 /nfs/dbraw/zinc/08/23/78/940082378.db2.gz BJGDHMWEGHXKEB-SXLOBPIMSA-N 0 1 417.893 4.475 20 5 HIBDMN Cc1nc(-c2ccccc2)sc1[C@H](C)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000543519471 940094267 /nfs/dbraw/zinc/09/42/67/940094267.db2.gz YKILTAMEQDMDMD-AWEZNQCLSA-N 0 1 410.499 4.340 20 5 HIBDMN CC(C)CN1Cc2cccc(NC(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)c2C1 ZINC000543817753 940195691 /nfs/dbraw/zinc/19/56/91/940195691.db2.gz IFDIPOJQLRIYPL-UHFFFAOYSA-N 0 1 405.401 4.420 20 5 HIBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000544327460 940391390 /nfs/dbraw/zinc/39/13/90/940391390.db2.gz SMPHZUASRCTPKM-UHFFFAOYSA-N 0 1 403.851 4.398 20 5 HIBDMN CCc1ccc([C@H](NC2CCN(C(=O)c3ccoc3)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544367980 940403889 /nfs/dbraw/zinc/40/38/89/940403889.db2.gz LXAABEOJJZMARY-JOCHJYFZSA-N 0 1 423.469 4.327 20 5 HIBDMN O=[N+]([O-])c1ccc(-c2noc(-c3[nH]nc(-c4ccccc4)c3Br)n2)cc1 ZINC000544931965 940526340 /nfs/dbraw/zinc/52/63/40/940526340.db2.gz YLVZAKXOUFITOU-UHFFFAOYSA-N 0 1 412.203 4.464 20 5 HIBDMN Cc1cc(-c2noc(-c3ccc([N+](=O)[O-])cc3Br)n2)cc2nc[nH]c21 ZINC000545725096 940582484 /nfs/dbraw/zinc/58/24/84/940582484.db2.gz ZUWHEKLJNXOAOA-UHFFFAOYSA-N 0 1 400.192 4.259 20 5 HIBDMN COc1ccc(CSCc2nc(-c3cc4nc[nH]c4c(C)c3)no2)cc1[N+](=O)[O-] ZINC000545730411 940582697 /nfs/dbraw/zinc/58/26/97/940582697.db2.gz QHOYUEDBAWFLKM-UHFFFAOYSA-N 0 1 411.443 4.272 20 5 HIBDMN Cc1cc(OC(C)C)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000546620350 940861474 /nfs/dbraw/zinc/86/14/74/940861474.db2.gz SBMKXKSAZKXVDW-UHFFFAOYSA-N 0 1 401.444 4.039 20 5 HIBDMN CN(C)Cc1cc(-c2noc(-c3ccc([N+](=O)[O-])cc3Br)n2)ccc1F ZINC000547162862 941017107 /nfs/dbraw/zinc/01/71/07/941017107.db2.gz QFUUBDRWQWHODS-UHFFFAOYSA-N 0 1 421.226 4.275 20 5 HIBDMN COc1c(F)cc(S(=O)(=O)Nc2ccccc2NC2CCCCC2)cc1[N+](=O)[O-] ZINC000548611219 941114870 /nfs/dbraw/zinc/11/48/70/941114870.db2.gz FWHHDAKEPZGXCM-UHFFFAOYSA-N 0 1 423.466 4.288 20 5 HIBDMN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2cc(F)c(F)cc2Br)n1 ZINC000552096029 941584039 /nfs/dbraw/zinc/58/40/39/941584039.db2.gz NUYOSOWJFFMAJQ-HUUCEWRRSA-N 0 1 415.238 4.106 20 5 HIBDMN O=[N+]([O-])c1cccc(-c2nc(CNC[C@H](CO)c3ccccc3Cl)cs2)c1 ZINC000554720199 942210739 /nfs/dbraw/zinc/21/07/39/942210739.db2.gz XMTXVGKERRFMDU-CQSZACIVSA-N 0 1 403.891 4.237 20 5 HIBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000554813413 942256493 /nfs/dbraw/zinc/25/64/93/942256493.db2.gz KXVWSOFQYFRMNO-GOSISDBHSA-N 0 1 422.338 4.201 20 5 HIBDMN CC(C)(C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000554952385 942331280 /nfs/dbraw/zinc/33/12/80/942331280.db2.gz 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HIBDMN CN(c1ccccc1)c1ccc(CN[C@@H](CC(N)=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000559344469 943900416 /nfs/dbraw/zinc/90/04/16/943900416.db2.gz SYQITLOYGOOETF-FQEVSTJZSA-N 0 1 404.470 4.069 20 5 HIBDMN Cc1sc(C2(NCCn3ccc([N+](=O)[O-])n3)CCC2)nc1-c1ccccc1F ZINC000559479312 943972695 /nfs/dbraw/zinc/97/26/95/943972695.db2.gz FWNAVDRBSSPVHD-UHFFFAOYSA-N 0 1 401.467 4.031 20 5 HIBDMN CCN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C)Cc1ccc(OC)cc1 ZINC000561403508 944581748 /nfs/dbraw/zinc/58/17/48/944581748.db2.gz GFIJVGMMHACVPF-AWEZNQCLSA-N 0 1 405.882 4.148 20 5 HIBDMN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000561760726 944783862 /nfs/dbraw/zinc/78/38/62/944783862.db2.gz QSQWHMQWKFQSKX-KRWDZBQOSA-N 0 1 420.803 4.309 20 5 HIBDMN CC(C)(C)c1ccc(-c2n[nH]c(NC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)n2)cc1 ZINC000561895906 944842936 /nfs/dbraw/zinc/84/29/36/944842936.db2.gz YVVDMZFYPJLTIT-UHFFFAOYSA-N 0 1 404.430 4.411 20 5 HIBDMN 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COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1C ZINC000467427859 881218440 /nfs/dbraw/zinc/21/84/40/881218440.db2.gz FIEHGDOJCSICBU-HNNXBMFYSA-N 0 1 419.503 4.091 20 5 HIBDMN CN1CC[C@H](CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000470127522 884389752 /nfs/dbraw/zinc/38/97/52/884389752.db2.gz COPCRSKSARJWRI-XIKOKIGWSA-N 0 1 424.835 4.341 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000503941161 912874922 /nfs/dbraw/zinc/87/49/22/912874922.db2.gz FPSVBOBMYNDZGS-UHFFFAOYSA-N 0 1 418.881 4.043 20 5 HIBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nnc(-c2ccccc2Cl)s1 ZINC000470849087 885346472 /nfs/dbraw/zinc/34/64/72/885346472.db2.gz QBUHYGKOIDEPTC-UHFFFAOYSA-N 0 1 404.835 4.418 20 5 HIBDMN CCC(O)(CC)CCN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000471561639 886269929 /nfs/dbraw/zinc/26/99/29/886269929.db2.gz AJUSHMCPHBZYIA-LJQANCHMSA-N 0 1 419.909 4.459 20 5 HIBDMN COc1cccc([C@@H]2[C@H](NC(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)CCN2C2CC2)c1 ZINC000471988154 886815295 /nfs/dbraw/zinc/81/52/95/886815295.db2.gz HIGFNPTUFQAJAJ-DENIHFKCSA-N 0 1 424.501 4.320 20 5 HIBDMN COc1ccc(CN[C@@H](CO)c2ccsc2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000472044767 886861038 /nfs/dbraw/zinc/86/10/38/886861038.db2.gz VDULZQIHGVUVEW-IBGZPJMESA-N 0 1 414.483 4.067 20 5 HIBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC=C(c2c(F)cccc2F)CC1 ZINC000473156399 887936044 /nfs/dbraw/zinc/93/60/44/887936044.db2.gz CDRVCICZLDYMMM-UHFFFAOYSA-N 0 1 401.413 4.299 20 5 HIBDMN Cc1cc(NC(=O)N2CCC[C@@H](c3nnc(-c4ccccc4)[nH]3)C2)ccc1[N+](=O)[O-] ZINC000473764392 888560071 /nfs/dbraw/zinc/56/00/71/888560071.db2.gz MKLYUABKUCVDGG-MRXNPFEDSA-N 0 1 406.446 4.100 20 5 HIBDMN COC(=O)COc1ccc(CN[C@@H](C)c2ccc(-c3cccnc3)cc2)cc1[N+](=O)[O-] ZINC000474344513 889219585 /nfs/dbraw/zinc/21/95/85/889219585.db2.gz AVUIQVOKAVWPEA-INIZCTEOSA-N 0 1 421.453 4.059 20 5 HIBDMN Cc1nn(Cc2ccc(C(=O)Nc3cc(F)cc(Cl)c3O)cc2)c(C)c1[N+](=O)[O-] ZINC000474427805 889292060 /nfs/dbraw/zinc/29/20/60/889292060.db2.gz QMEBLHLGJVWSDP-UHFFFAOYSA-N 0 1 418.812 4.207 20 5 HIBDMN O=C(NC[C@H](c1ccco1)N1CCCC1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475194720 890065575 /nfs/dbraw/zinc/06/55/75/890065575.db2.gz ZGGRVBDOLAJAPV-OAHLLOKOSA-N 0 1 412.368 4.165 20 5 HIBDMN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000475644482 890586953 /nfs/dbraw/zinc/58/69/53/890586953.db2.gz ZLDLULSXDMFRHQ-UHFFFAOYSA-N 0 1 420.473 4.408 20 5 HIBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC000475722990 890661798 /nfs/dbraw/zinc/66/17/98/890661798.db2.gz MIZSAVFDNDAJQR-UHFFFAOYSA-N 0 1 411.380 4.265 20 5 HIBDMN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1Cl ZINC000475983333 890898815 /nfs/dbraw/zinc/89/88/15/890898815.db2.gz DFZTYUHLTSJTLV-GFCCVEGCSA-N 0 1 417.849 4.221 20 5 HIBDMN O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)n[nH]1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000477102713 892036357 /nfs/dbraw/zinc/03/63/57/892036357.db2.gz TYUMNZNTAFUYBX-UHFFFAOYSA-N 0 1 416.319 4.132 20 5 HIBDMN CCOc1ccc([C@@H](C)NCc2ccc(NC(=O)c3cccnc3)cc2)cc1[N+](=O)[O-] ZINC000504900008 913631867 /nfs/dbraw/zinc/63/18/67/913631867.db2.gz PNSKZNJJCTUXNV-MRXNPFEDSA-N 0 1 420.469 4.492 20 5 HIBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCCCC[C@@H]1c1noc(-c2ccccc2)n1 ZINC000477788512 892868415 /nfs/dbraw/zinc/86/84/15/892868415.db2.gz KGZBFFNHLGDEHH-GOSISDBHSA-N 0 1 408.414 4.108 20 5 HIBDMN O=C(NCc1ccc(-c2nc3ccccc3s2)o1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000478677897 893930932 /nfs/dbraw/zinc/93/09/32/893930932.db2.gz RBKJVNTXEKTKKF-UHFFFAOYSA-N 0 1 419.422 4.271 20 5 HIBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000478938122 894218045 /nfs/dbraw/zinc/21/80/45/894218045.db2.gz JJVOVXZAMNOJIN-INIZCTEOSA-N 0 1 405.545 4.335 20 5 HIBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(F)cc2OCC(F)(F)F)c1C ZINC000505303670 913963444 /nfs/dbraw/zinc/96/34/44/913963444.db2.gz BGMINWXCGANNTI-UHFFFAOYSA-N 0 1 422.356 4.093 20 5 HIBDMN CCc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cnn1C(CC)CC ZINC000480201709 895599245 /nfs/dbraw/zinc/59/92/45/895599245.db2.gz QRMATJWFGPKZFG-UHFFFAOYSA-N 0 1 400.888 4.169 20 5 HIBDMN CCc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cnn1C(CC)CC ZINC000480234310 895640236 /nfs/dbraw/zinc/64/02/36/895640236.db2.gz WCGLWCCLXNYTCW-UHFFFAOYSA-N 0 1 417.491 4.064 20 5 HIBDMN CO[C@@H](c1ccccc1Cl)[C@H](C)NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000481394044 896800574 /nfs/dbraw/zinc/80/05/74/896800574.db2.gz UDOJAKMVCDRBPD-BBATYDOGSA-N 0 1 412.273 4.206 20 5 HIBDMN O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl)c1n[nH]cc1[N+](=O)[O-] ZINC000481916992 897300279 /nfs/dbraw/zinc/30/02/79/897300279.db2.gz GQDZSMWIWWCEPP-AWEZNQCLSA-N 0 1 409.833 4.015 20 5 HIBDMN NC(=O)c1ccc(CNC2(c3ccc(Br)cc3)CCCC2)c([N+](=O)[O-])c1 ZINC000505474927 914150828 /nfs/dbraw/zinc/15/08/28/914150828.db2.gz VVVULTXDMKHBGH-UHFFFAOYSA-N 0 1 418.291 4.015 20 5 HIBDMN CCC[C@@H](N[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000482264820 897750495 /nfs/dbraw/zinc/75/04/95/897750495.db2.gz NJOCXTYUAXPAPB-FOIQADDNSA-N 0 1 405.520 4.037 20 5 HIBDMN COc1ccccc1-c1nc(C2CCN(Cc3ccc(C)c([N+](=O)[O-])c3)CC2)no1 ZINC000483426629 899055243 /nfs/dbraw/zinc/05/52/43/899055243.db2.gz FTEXVCSJOYJOKT-UHFFFAOYSA-N 0 1 408.458 4.341 20 5 HIBDMN O=C1CCCN1[C@@H]1CCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000483438383 899071101 /nfs/dbraw/zinc/07/11/01/899071101.db2.gz MRRQWNUUALJTQL-QGZVFWFLSA-N 0 1 415.877 4.237 20 5 HIBDMN Cc1cccc(NC(=O)Nc2cccc(CNC(=O)c3cc(O)cc([N+](=O)[O-])c3)c2)c1 ZINC000505787805 914453635 /nfs/dbraw/zinc/45/36/35/914453635.db2.gz RCSGHPLDGPCPSE-UHFFFAOYSA-N 0 1 420.425 4.183 20 5 HIBDMN COC(=O)C1CCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000505838993 914491788 /nfs/dbraw/zinc/49/17/88/914491788.db2.gz PSPDVGMXCQMZMK-UHFFFAOYSA-N 0 1 404.850 4.426 20 5 HIBDMN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000485826706 901072753 /nfs/dbraw/zinc/07/27/53/901072753.db2.gz YLFGIUVYLGRNFJ-IBGZPJMESA-N 0 1 423.847 4.022 20 5 HIBDMN CC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1cc(F)cc(Br)c1 ZINC000485849669 901094392 /nfs/dbraw/zinc/09/43/92/901094392.db2.gz RPEWSRXRHZALJZ-MRXNPFEDSA-N 0 1 424.270 4.484 20 5 HIBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccc(C)o1)N1CCCC1 ZINC000486045410 901246042 /nfs/dbraw/zinc/24/60/42/901246042.db2.gz NLNXSUBWFNCDCM-QGZVFWFLSA-N 0 1 403.504 4.175 20 5 HIBDMN O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000486282939 901466839 /nfs/dbraw/zinc/46/68/39/901466839.db2.gz UQRWOZZFPNKLSB-UHFFFAOYSA-N 0 1 402.414 4.177 20 5 HIBDMN CC(C)([C@@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccc(F)c(F)c1)N1CCCC1 ZINC000486564895 901709811 /nfs/dbraw/zinc/70/98/11/901709811.db2.gz LSKWZAMLFLSEHJ-KRWDZBQOSA-N 0 1 409.458 4.280 20 5 HIBDMN C[C@@H](Nc1ccc(C(=O)Nc2nc3ccc(F)cc3[nH]2)cc1[N+](=O)[O-])c1ccccn1 ZINC000488923195 903078226 /nfs/dbraw/zinc/07/82/26/903078226.db2.gz YBLFYWYBZHHKMQ-GFCCVEGCSA-N 0 1 420.404 4.431 20 5 HIBDMN Cc1ccc([C@@H](CNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)N2CCCC2)o1 ZINC000489143090 903227873 /nfs/dbraw/zinc/22/78/73/903227873.db2.gz UAWRNMBGTUDKJI-QFBILLFUSA-N 0 1 400.479 4.002 20 5 HIBDMN O=C(NC[C@@H](c1ccco1)N1CCCCC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000489870396 903641833 /nfs/dbraw/zinc/64/18/33/903641833.db2.gz JZFZGEGJNQQPAI-FQEVSTJZSA-N 0 1 412.490 4.089 20 5 HIBDMN C[C@@H](OC[C@@H](O)CN(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(Cl)cc1 ZINC000490451349 904017682 /nfs/dbraw/zinc/01/76/82/904017682.db2.gz GMGJRHBEABEBJX-VFNWGFHPSA-N 0 1 404.894 4.351 20 5 HIBDMN O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)n[nH]1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000490584597 904116847 /nfs/dbraw/zinc/11/68/47/904116847.db2.gz IYLCFCNBTVAZEZ-UHFFFAOYSA-N 0 1 416.319 4.132 20 5 HIBDMN COc1cc(CNC(C)(C)c2ccccc2[N+](=O)[O-])cc(OC)c1OCC(F)F ZINC000492154133 904807130 /nfs/dbraw/zinc/80/71/30/904807130.db2.gz SQEZXTBCNPWPIO-UHFFFAOYSA-N 0 1 410.417 4.281 20 5 HIBDMN O=C(N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506210241 914845856 /nfs/dbraw/zinc/84/58/56/914845856.db2.gz ZQOXPODNVFRBPO-INIZCTEOSA-N 0 1 413.430 4.370 20 5 HIBDMN Cc1ccc(Sc2ccc(C(=O)N[C@@H]3CCc4nc[nH]c4C3)cc2[N+](=O)[O-])cc1 ZINC000492693254 904889068 /nfs/dbraw/zinc/88/90/68/904889068.db2.gz VMJRADCFGGSTCX-OAHLLOKOSA-N 0 1 408.483 4.065 20 5 HIBDMN C[C@H]1[C@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CCN1Cc1ccccc1 ZINC000494059020 905396861 /nfs/dbraw/zinc/39/68/61/905396861.db2.gz HOOHEEWNTOWCOQ-HTAPYJJXSA-N 0 1 411.505 4.074 20 5 HIBDMN Cc1ccc(NC(=O)NC[C@@H]2CCCN(C/C=C/c3ccccc3[N+](=O)[O-])C2)cc1 ZINC000512428052 921155283 /nfs/dbraw/zinc/15/52/83/921155283.db2.gz OWFXKGVUHBSNLX-MEQKGCOVSA-N 0 1 408.502 4.450 20 5 HIBDMN C[C@@H]1OCC[C@]1(C)N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000494251961 905578441 /nfs/dbraw/zinc/57/84/41/905578441.db2.gz UPSVDOTWLSNOTD-VIZZQPHQSA-N 0 1 403.866 4.085 20 5 HIBDMN C[C@@H]1OCC[C@@]1(C)N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000494251959 905578538 /nfs/dbraw/zinc/57/85/38/905578538.db2.gz UPSVDOTWLSNOTD-CYFNAFFESA-N 0 1 403.866 4.085 20 5 HIBDMN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H](C)c1nc(-c2cc(C)ccn2)n[nH]1 ZINC000494427332 905715034 /nfs/dbraw/zinc/71/50/34/905715034.db2.gz SOLSCCVHDDGSID-CABCVRRESA-N 0 1 412.519 4.305 20 5 HIBDMN C[C@H](N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000494464022 905746844 /nfs/dbraw/zinc/74/68/44/905746844.db2.gz IHRYQGRNPYTOHI-PDSMFRHLSA-N 0 1 424.284 4.348 20 5 HIBDMN O=[N+]([O-])c1cc(CN[C@@H](Cc2ccccn2)c2cccnc2)cc(C(F)(F)F)c1 ZINC000494498768 905788898 /nfs/dbraw/zinc/78/88/98/905788898.db2.gz WXAWRSROAQBOIH-IBGZPJMESA-N 0 1 402.376 4.477 20 5 HIBDMN CN(C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)[C@@H]1CCCN(C)C1 ZINC000494552580 905831599 /nfs/dbraw/zinc/83/15/99/905831599.db2.gz JTJDKQMJVKRODU-QGZVFWFLSA-N 0 1 416.909 4.027 20 5 HIBDMN Cc1c([C@H](C)NCCc2ccc(Cl)cc2[N+](=O)[O-])nnn1-c1ccc(F)cc1 ZINC000495433475 906448666 /nfs/dbraw/zinc/44/86/66/906448666.db2.gz ODQBMRNCUDLCGZ-LBPRGKRZSA-N 0 1 403.845 4.170 20 5 HIBDMN O=C(Nc1ccc(Br)cc1)C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000512564529 921239957 /nfs/dbraw/zinc/23/99/57/921239957.db2.gz KURCHPUKRSUEMJ-UHFFFAOYSA-N 0 1 418.291 4.208 20 5 HIBDMN COc1ccc(-c2cc3[nH]c(Cc4cccc([N+](=O)[O-])c4C)nc(=O)c3s2)cc1 ZINC000497847335 907326622 /nfs/dbraw/zinc/32/66/22/907326622.db2.gz DRNNWBWAOOSVSO-UHFFFAOYSA-N 0 1 407.451 4.468 20 5 HIBDMN CCNc1ccc(C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)cc1[N+](=O)[O-] ZINC000498961813 908358516 /nfs/dbraw/zinc/35/85/16/908358516.db2.gz WUWGKQURSHWEMD-UHFFFAOYSA-N 0 1 402.414 4.217 20 5 HIBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000500237201 909725635 /nfs/dbraw/zinc/72/56/35/909725635.db2.gz DAXGSTHYYJRHBE-UHFFFAOYSA-N 0 1 411.502 4.119 20 5 HIBDMN Cc1c(CN2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000502322793 911300616 /nfs/dbraw/zinc/30/06/16/911300616.db2.gz ABHQPORAZAYFTI-SFHVURJKSA-N 0 1 411.506 4.135 20 5 HIBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000502354431 911334741 /nfs/dbraw/zinc/33/47/41/911334741.db2.gz OKQZNCGOIAWOOX-WBVHZDCISA-N 0 1 411.506 4.387 20 5 HIBDMN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](NCC[C@@H]1CCCCO1)c1ccccc1 ZINC000502619403 911643218 /nfs/dbraw/zinc/64/32/18/911643218.db2.gz VEAWBLUUXHUSOQ-FXAWDEMLSA-N 0 1 417.893 4.477 20 5 HIBDMN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000506733485 915418427 /nfs/dbraw/zinc/41/84/27/915418427.db2.gz AXZZXIXYQKJBKP-UHFFFAOYSA-N 0 1 402.451 4.085 20 5 HIBDMN O=C(Nc1ncc(C(F)(F)F)[nH]1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000506904550 915703877 /nfs/dbraw/zinc/70/38/77/915703877.db2.gz LLFSNBXVGXNKER-UHFFFAOYSA-N 0 1 406.320 4.168 20 5 HIBDMN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000507089388 915864020 /nfs/dbraw/zinc/86/40/20/915864020.db2.gz STFCNZBEUKQCPO-UHFFFAOYSA-N 0 1 405.495 4.228 20 5 HIBDMN Cc1ccc(CNC(=O)C2CCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)cc1F ZINC000507131951 915882719 /nfs/dbraw/zinc/88/27/19/915882719.db2.gz NRAGDHYRVBBUAO-GQCTYLIASA-N 0 1 411.477 4.084 20 5 HIBDMN O=C(Nc1cccc(Br)c1)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000507276337 916041640 /nfs/dbraw/zinc/04/16/40/916041640.db2.gz GJUCBMIMDFYPQY-UHFFFAOYSA-N 0 1 418.291 4.208 20 5 HIBDMN CCOC(=O)C(C)(C)C1CCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000510122887 918682643 /nfs/dbraw/zinc/68/26/43/918682643.db2.gz DDUHCPVQFXUFRB-AWEZNQCLSA-N 0 1 416.478 4.007 20 5 HIBDMN Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)N(C)C ZINC000510549959 918994974 /nfs/dbraw/zinc/99/49/74/918994974.db2.gz NILMZUBTRABZOQ-XDHUDOTRSA-N 0 1 413.521 4.411 20 5 HIBDMN CC(=O)NCC1CCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000511638761 920303031 /nfs/dbraw/zinc/30/30/31/920303031.db2.gz BKAADQLSPIKXQR-UHFFFAOYSA-N 0 1 417.893 4.389 20 5 HIBDMN COc1ccc([C@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)N2CCCCC2)cc1 ZINC000512042111 920812858 /nfs/dbraw/zinc/81/28/58/920812858.db2.gz SNXSFFJVRBLHMO-NRFANRHFSA-N 0 1 422.485 4.042 20 5 HIBDMN O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000512232736 920986258 /nfs/dbraw/zinc/98/62/58/920986258.db2.gz DWSITNBDPQGLAW-MRXNPFEDSA-N 0 1 408.380 4.010 20 5 HIBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000515385672 923075531 /nfs/dbraw/zinc/07/55/31/923075531.db2.gz DTKVWFDSDDEPIY-UHFFFAOYSA-N 0 1 404.470 4.406 20 5 HIBDMN C[C@H](NC(=O)N1CCN(Cc2cccc3ccccc32)CC1)c1cccc([N+](=O)[O-])c1 ZINC000516555512 923793956 /nfs/dbraw/zinc/79/39/56/923793956.db2.gz JXEVNKOUWPSEBU-SFHVURJKSA-N 0 1 418.497 4.336 20 5 HIBDMN O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000516767289 923882036 /nfs/dbraw/zinc/88/20/36/923882036.db2.gz AJZCRPHLPMLYGA-HXUWFJFHSA-N 0 1 421.457 4.175 20 5 HIBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000517717404 926812623 /nfs/dbraw/zinc/81/26/23/926812623.db2.gz KPQGTDIUOGQQGJ-STQMWFEESA-N 0 1 418.240 4.429 20 5 HIBDMN CCCc1[nH]nc(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)c1[N+](=O)[O-] ZINC000518336512 927200898 /nfs/dbraw/zinc/20/08/98/927200898.db2.gz YUDDOIRYRKCQRR-UHFFFAOYSA-N 0 1 408.393 4.205 20 5 HIBDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)[nH]c2c1 ZINC000520309598 928471473 /nfs/dbraw/zinc/47/14/73/928471473.db2.gz XBYUISZEVVBMAW-FQEVSTJZSA-N 0 1 403.442 4.098 20 5 HIBDMN C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1nc(C(C)(C)C)cs1 ZINC000520739173 928790129 /nfs/dbraw/zinc/79/01/29/928790129.db2.gz BPDYQUUKNBQRBF-VIFPVBQESA-N 0 1 403.913 4.042 20 5 HIBDMN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000524555110 929684241 /nfs/dbraw/zinc/68/42/41/929684241.db2.gz YRMLRJUXFMONGS-IBGZPJMESA-N 0 1 422.312 4.397 20 5 HIBDMN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000525626915 930371586 /nfs/dbraw/zinc/37/15/86/930371586.db2.gz PCEMCMAQQWWUDW-QHCPKHFHSA-N 0 1 416.437 4.146 20 5 HIBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000527289446 930627597 /nfs/dbraw/zinc/62/75/97/930627597.db2.gz YYMFMKVDDGIXFG-JLTOFOAXSA-N 0 1 403.429 4.023 20 5 HIBDMN Cc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccccc2Br)cc1[N+](=O)[O-] ZINC000530966388 930871142 /nfs/dbraw/zinc/87/11/42/930871142.db2.gz GVLPQFXKNJQXIO-STQMWFEESA-N 0 1 406.280 4.344 20 5 HIBDMN COc1cc(CN[C@@H](CO)c2ccccc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531094580 930917805 /nfs/dbraw/zinc/91/78/05/930917805.db2.gz YQVHEGPWAGCFJA-QFIPXVFZSA-N 0 1 422.481 4.314 20 5 HIBDMN Cc1c(Br)cc(S(=O)(=O)Nc2cccc3ccncc32)cc1[N+](=O)[O-] ZINC000531781185 931194743 /nfs/dbraw/zinc/19/47/43/931194743.db2.gz FUJFIYLSBCRMLN-UHFFFAOYSA-N 0 1 422.260 4.015 20 5 HIBDMN CCC[C@@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1C)C(=O)N1CCc2sccc2C1 ZINC000532221817 931360134 /nfs/dbraw/zinc/36/01/34/931360134.db2.gz KLNCCOVIIFUGGP-HNAYVOBHSA-N 0 1 401.532 4.369 20 5 HIBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000532693980 931588976 /nfs/dbraw/zinc/58/89/76/931588976.db2.gz DVZAHYVLUJGIGN-HZPDHXFCSA-N 0 1 400.454 4.329 20 5 HIBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000532693978 931589739 /nfs/dbraw/zinc/58/97/39/931589739.db2.gz DVZAHYVLUJGIGN-CVEARBPZSA-N 0 1 400.454 4.329 20 5 HIBDMN O=C(Nc1cccc(Cl)c1)N1CCCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000533037177 931748343 /nfs/dbraw/zinc/74/83/43/931748343.db2.gz ZASDIININXRWNK-UHFFFAOYSA-N 0 1 402.882 4.031 20 5 HIBDMN CN1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534242209 932360542 /nfs/dbraw/zinc/36/05/42/932360542.db2.gz IILAWEZDOIDQRY-UGSOOPFHSA-N 0 1 406.845 4.202 20 5 HIBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000537689065 938355123 /nfs/dbraw/zinc/35/51/23/938355123.db2.gz YXGNVDRXALVCBZ-UHFFFAOYSA-N 0 1 415.278 4.081 20 5 HIBDMN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CCC[C@H]3COCC[C@H]32)cc1 ZINC000537689135 938355324 /nfs/dbraw/zinc/35/53/24/938355324.db2.gz HBXCTDJFSQWEKJ-WMZHIEFXSA-N 0 1 418.497 4.448 20 5 HIBDMN Cc1ccc([C@H](C)NCc2n[nH]c(-c3ccc(Br)cc3)n2)cc1[N+](=O)[O-] ZINC000537954581 938431158 /nfs/dbraw/zinc/43/11/58/938431158.db2.gz NLRNFKFIMHLWJU-LBPRGKRZSA-N 0 1 416.279 4.302 20 5 HIBDMN CCOc1ccc([C@@H](C)N[C@@H](CC(C)C)C(=O)Nc2nccs2)cc1[N+](=O)[O-] ZINC000537963538 938436359 /nfs/dbraw/zinc/43/63/59/938436359.db2.gz NVVQCSJVGAJPCO-HIFRSBDPSA-N 0 1 406.508 4.154 20 5 HIBDMN CCOc1ccc([C@@H](C)N[C@H](CO)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000537963941 938437201 /nfs/dbraw/zinc/43/72/01/938437201.db2.gz AIDDNACVQCSSPF-MLGOLLRUSA-N 0 1 409.280 4.140 20 5 HIBDMN COc1ccc(CN[C@@H](C)c2ccc(I)cc2)cc1[N+](=O)[O-] ZINC000537969990 938439785 /nfs/dbraw/zinc/43/97/85/938439785.db2.gz BGHFUVGIVGGUBY-NSHDSACASA-N 0 1 412.227 4.059 20 5 HIBDMN C[C@H](NCC(=O)N(C)C(c1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000538174399 938535855 /nfs/dbraw/zinc/53/58/55/938535855.db2.gz HOHNSAYGZYTCQH-SFHVURJKSA-N 0 1 403.482 4.493 20 5 HIBDMN Cc1ccc([C@H](C)NCC(=O)NCc2ccccc2OC2CCCC2)cc1[N+](=O)[O-] ZINC000538280393 938582533 /nfs/dbraw/zinc/58/25/33/938582533.db2.gz SDYLMTVLLNTDFK-KRWDZBQOSA-N 0 1 411.502 4.192 20 5 HIBDMN O=[N+]([O-])c1ccc(OC2CCN(Cc3ccc(Oc4cnccn4)cc3)CC2)cc1 ZINC000538734903 938696295 /nfs/dbraw/zinc/69/62/95/938696295.db2.gz LHNOLIMMYGFXAE-UHFFFAOYSA-N 0 1 406.442 4.221 20 5 HIBDMN O=C1CCCN1[C@@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000538734857 938696742 /nfs/dbraw/zinc/69/67/42/938696742.db2.gz HJSOTYYDTTTXMH-OAHLLOKOSA-N 0 1 403.866 4.095 20 5 HIBDMN COc1ccc2c(c1)C1(CC1)CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C2 ZINC000563488333 945203276 /nfs/dbraw/zinc/20/32/76/945203276.db2.gz QWYORAYKRHRYKF-UHFFFAOYSA-N 0 1 404.470 4.051 20 5 HIBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000539091103 938801072 /nfs/dbraw/zinc/80/10/72/938801072.db2.gz LCXIWRNEEIBACF-BZSNNMDCSA-N 0 1 411.502 4.003 20 5 HIBDMN COc1cc([C@@H](C)NCC(=O)Nc2ccccc2[N+](=O)[O-])ccc1OC1CCCC1 ZINC000539256850 938828044 /nfs/dbraw/zinc/82/80/44/938828044.db2.gz IYSFHUNBZVQQNE-OAHLLOKOSA-N 0 1 413.474 4.214 20 5 HIBDMN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000539372827 938850734 /nfs/dbraw/zinc/85/07/34/938850734.db2.gz IXTSNEXOGUPTIL-UHFFFAOYSA-N 0 1 402.451 4.083 20 5 HIBDMN COc1cc(Br)c(CNC/C=C\c2ccccc2[N+](=O)[O-])cc1OC ZINC000539504413 938869868 /nfs/dbraw/zinc/86/98/68/938869868.db2.gz JGVINOQUSINJNY-ALCCZGGFSA-N 0 1 407.264 4.178 20 5 HIBDMN CC[C@@H](c1nnc(NCc2cc(OC)c(O)c([N+](=O)[O-])c2)s1)c1ccccc1 ZINC000539693743 938904146 /nfs/dbraw/zinc/90/41/46/938904146.db2.gz MJUDGKJNPRLGHT-CQSZACIVSA-N 0 1 400.460 4.315 20 5 HIBDMN Cc1cc(C(C)(C)NCC(=O)Nc2ccccc2[N+](=O)[O-])ccc1Br ZINC000563573029 945220415 /nfs/dbraw/zinc/22/04/15/945220415.db2.gz LDMQKCLRKCGCBQ-UHFFFAOYSA-N 0 1 406.280 4.129 20 5 HIBDMN Cc1nc(-c2ccc([C@@H](C)NCC(=O)N3CCc4ccc([N+](=O)[O-])cc43)cc2)cs1 ZINC000540350724 939202305 /nfs/dbraw/zinc/20/23/05/939202305.db2.gz CEOZAJDCURTXBU-CQSZACIVSA-N 0 1 422.510 4.267 20 5 HIBDMN Cc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2nc3ccc(F)cc3s2)cc1[N+](=O)[O-] ZINC000540478445 939268753 /nfs/dbraw/zinc/26/87/53/939268753.db2.gz GRSPZTAKOQTUHN-VXGBXAGGSA-N 0 1 402.451 4.330 20 5 HIBDMN Cc1ccc([C@H](C)NCC(=O)NCCc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] ZINC000540478933 939268761 /nfs/dbraw/zinc/26/87/61/939268761.db2.gz RXDKDQNLTASRHX-ZDUSSCGKSA-N 0 1 410.301 4.220 20 5 HIBDMN Cc1c(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)cccc1[N+](=O)[O-] ZINC000540861553 939399338 /nfs/dbraw/zinc/39/93/38/939399338.db2.gz HLQRNAKVTKRAJI-MRXNPFEDSA-N 0 1 412.494 4.481 20 5 HIBDMN Cc1nc(-c2ccccc2)sc1[C@H](C)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000541661555 939594167 /nfs/dbraw/zinc/59/41/67/939594167.db2.gz OSZONEJCXGAGCA-AWEZNQCLSA-N 0 1 422.510 4.267 20 5 HIBDMN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC3(CCOCC3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000541718732 939613719 /nfs/dbraw/zinc/61/37/19/939613719.db2.gz NZMNEFDFJAUPLD-GCJKJVERSA-N 0 1 423.513 4.474 20 5 HIBDMN CCc1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)n[nH]1 ZINC000541722945 939614186 /nfs/dbraw/zinc/61/41/86/939614186.db2.gz WSPAQYUWZKUVFC-GFCCVEGCSA-N 0 1 403.508 4.049 20 5 HIBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCc2ccc(-c3ccccc3F)s2)cc1 ZINC000542692741 939854622 /nfs/dbraw/zinc/85/46/22/939854622.db2.gz JMJSJMIAAIUMMR-UHFFFAOYSA-N 0 1 420.487 4.026 20 5 HIBDMN CN(C)[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 ZINC000545227683 940557314 /nfs/dbraw/zinc/55/73/14/940557314.db2.gz NRGFDVSBAMMFRF-KRWDZBQOSA-N 0 1 411.289 4.004 20 5 HIBDMN Cc1cc(Cc2noc(-c3ccc(CN4C[C@H](C)O[C@@H](C)C4)cc3)n2)ccc1[N+](=O)[O-] ZINC000546558461 940852569 /nfs/dbraw/zinc/85/25/69/940852569.db2.gz UXSXRHDDXAPQRM-IRXDYDNUSA-N 0 1 422.485 4.153 20 5 HIBDMN COc1ccc(NC(=O)[C@@H](C)N2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)c([N+](=O)[O-])c1 ZINC000548934187 941130674 /nfs/dbraw/zinc/13/06/74/941130674.db2.gz ULVRXGWEGWCBPO-OQIJWPOYSA-N 0 1 409.486 4.341 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000549582225 941200330 /nfs/dbraw/zinc/20/03/30/941200330.db2.gz GEXHYSPNFOERSZ-HNNXBMFYSA-N 0 1 412.421 4.172 20 5 HIBDMN C[C@H](N[C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ncc(Br)cn1 ZINC000551211967 941428329 /nfs/dbraw/zinc/42/83/29/941428329.db2.gz OLMJRIACWRFATE-ZENOOKHLSA-N 0 1 405.296 4.209 20 5 HIBDMN Cn1ccnc1[C@H](NCCc1cn(C)c2cc(Cl)ccc12)c1ccc([N+](=O)[O-])cc1 ZINC000552066489 941578383 /nfs/dbraw/zinc/57/83/83/941578383.db2.gz LMZLFSYZDUKQGJ-OAQYLSRUSA-N 0 1 423.904 4.395 20 5 HIBDMN Cc1nc([C@@H](C)NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])n[nH]1 ZINC000553634747 941928343 /nfs/dbraw/zinc/92/83/43/941928343.db2.gz CYFFGAVMXRQRCG-SNVBAGLBSA-N 0 1 417.878 4.317 20 5 HIBDMN Cc1ccc(S(=O)(=O)Nc2ccccc2O[C@@H](C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000554690379 942201271 /nfs/dbraw/zinc/20/12/71/942201271.db2.gz WFDOYWZVEZTVFI-NSHDSACASA-N 0 1 404.366 4.034 20 5 HIBDMN CCc1nc2ccccc2n1C1CCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000554883652 942306874 /nfs/dbraw/zinc/30/68/74/942306874.db2.gz WKIUVCGMCZNTJI-UHFFFAOYSA-N 0 1 424.501 4.361 20 5 HIBDMN C[C@H](c1ccc(F)cc1)N1CCC[C@@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1=O ZINC000556242057 942825239 /nfs/dbraw/zinc/82/52/39/942825239.db2.gz QSCQLVRDSZDKJM-KBJGYGKASA-N 0 1 411.477 4.453 20 5 HIBDMN CN1CC[C@@H](CNc2ncnc3sc([N+](=O)[O-])cc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000557624012 943236479 /nfs/dbraw/zinc/23/64/79/943236479.db2.gz ALCPJCCAEZDMAL-ZBEGNZNMSA-N 0 1 421.885 4.497 20 5 HIBDMN CCN1CC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000558896247 943728851 /nfs/dbraw/zinc/72/88/51/943728851.db2.gz IRYKLWCQRREIPP-JXFKEZNVSA-N 0 1 418.856 4.454 20 5 HIBDMN O=C(Nc1ccc(Cl)c(Cl)c1)C1CC[NH+](Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000559144634 943853613 /nfs/dbraw/zinc/85/36/13/943853613.db2.gz RVVLFYGAKHJQKJ-UHFFFAOYSA-N 0 1 424.284 4.458 20 5 HIBDMN Cn1ccnc1[C@H](NC[C@@H]1CCCO[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000560531013 944244995 /nfs/dbraw/zinc/24/49/95/944244995.db2.gz WEENZNPPYPMDNB-KSEOMHKRSA-N 0 1 406.486 4.175 20 5 HIBDMN Cc1csc(Nc2ccc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)n[nH]3)cc2)n1 ZINC000564462470 945602597 /nfs/dbraw/zinc/60/25/97/945602597.db2.gz QFAZQFMSOXJKFD-UHFFFAOYSA-N 0 1 421.442 4.141 20 5 HIBDMN CC[C@H](NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000567970951 946434247 /nfs/dbraw/zinc/43/42/47/946434247.db2.gz PJJPXJUBLOYBAQ-FQEVSTJZSA-N 0 1 422.485 4.205 20 5 HIBDMN CCc1[nH]nc(C(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000568493706 946568959 /nfs/dbraw/zinc/56/89/59/946568959.db2.gz OUZUZSRHFQQJKA-UHFFFAOYSA-N 0 1 424.301 4.190 20 5 HIBDMN O=[N+]([O-])c1cc2c(ncnc2N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)s1 ZINC000570913812 947392407 /nfs/dbraw/zinc/39/24/07/947392407.db2.gz KMGDOMRHOKPFCI-CYBMUJFWSA-N 0 1 400.851 4.471 20 5 HIBDMN COc1ccc([C@H](C)NCc2cc(I)cc([N+](=O)[O-])c2)cc1 ZINC000571724135 947765971 /nfs/dbraw/zinc/76/59/71/947765971.db2.gz WSNKGGDUGTZQIR-NSHDSACASA-N 0 1 412.227 4.059 20 5 HIBDMN COc1cc(CNCc2ccc3[nH]c(C)cc3c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000571960679 947822524 /nfs/dbraw/zinc/82/25/24/947822524.db2.gz QKGCNLQOMLQJHL-UHFFFAOYSA-N 0 1 405.401 4.327 20 5 HIBDMN Cc1nc(CN2CCCC23CCN(c2ncc([N+](=O)[O-])c(C)c2C)CC3)cs1 ZINC001164692606 719809663 /nfs/dbraw/zinc/80/96/63/719809663.db2.gz LBCODPPVNMQIPQ-UHFFFAOYSA-N 0 1 401.536 4.007 20 5 HIBDMN Cc1nc2ccc(NC(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)cc2[nH]1 ZINC000435931699 861191330 /nfs/dbraw/zinc/19/13/30/861191330.db2.gz YVXZESWXFBQEFL-UHFFFAOYSA-N 0 1 404.376 4.397 20 5 HIBDMN C[C@@H](Sc1nc(-c2ccccc2F)n[nH]1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000007183748 845274530 /nfs/dbraw/zinc/27/45/30/845274530.db2.gz AOEFWBUUESHJMW-SNVBAGLBSA-N 0 1 412.406 4.422 20 5 HIBDMN COc1cc([C@H]2Nc3ccccc3C(=O)N2CCc2ccccc2)cc([N+](=O)[O-])c1O ZINC000024079839 846785334 /nfs/dbraw/zinc/78/53/34/846785334.db2.gz UPBOCMKWVANADD-QFIPXVFZSA-N 0 1 419.437 4.118 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(Cc1ccco1)Cc1ccccc1 ZINC000026227547 847107448 /nfs/dbraw/zinc/10/74/48/847107448.db2.gz NOEZQMJJUVNFPB-UHFFFAOYSA-N 0 1 409.442 4.227 20 5 HIBDMN O=[N+]([O-])c1cccc(-c2nc(CNC[C@]3(O)CCC[C@H](C(F)(F)F)C3)cs2)c1 ZINC000436410741 861760752 /nfs/dbraw/zinc/76/07/52/861760752.db2.gz LANSDUXKTLYJAD-GUYCJALGSA-N 0 1 415.437 4.292 20 5 HIBDMN O=[N+]([O-])c1cccc(-c2nc(CNC[C@@]3(O)CCC[C@@H](C(F)(F)F)C3)cs2)c1 ZINC000436410739 861760908 /nfs/dbraw/zinc/76/09/08/861760908.db2.gz LANSDUXKTLYJAD-CXAGYDPISA-N 0 1 415.437 4.292 20 5 HIBDMN O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000028831420 847466355 /nfs/dbraw/zinc/46/63/55/847466355.db2.gz OEJKHWQMBMLALW-UHFFFAOYSA-N 0 1 424.269 4.418 20 5 HIBDMN O=[N+]([O-])c1ccc(O)cc1CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1 ZINC000436477672 861819357 /nfs/dbraw/zinc/81/93/57/861819357.db2.gz YWCPDFFTPLRSGY-AWEZNQCLSA-N 0 1 418.500 4.092 20 5 HIBDMN C[C@H](NCc1cccc(COCc2ccco2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000030511165 847724722 /nfs/dbraw/zinc/72/47/22/847724722.db2.gz ZMKNCMSVEFOTEK-INIZCTEOSA-N 0 1 409.442 4.021 20 5 HIBDMN Cc1ccccc1CN1CCCN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000031766347 847944319 /nfs/dbraw/zinc/94/43/19/847944319.db2.gz DAKDJKRUDGQELC-GOSISDBHSA-N 0 1 413.543 4.118 20 5 HIBDMN CC(C)(C)c1nc2ccc(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)cc2[nH]1 ZINC000032055405 847983311 /nfs/dbraw/zinc/98/33/11/847983311.db2.gz ZTFMMCGXRDCYEY-UHFFFAOYSA-N 0 1 404.430 4.207 20 5 HIBDMN CCOc1ccc([C@H](C)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OCC ZINC000042635923 848335608 /nfs/dbraw/zinc/33/56/08/848335608.db2.gz BJYDMGKTEAEHHZ-JKSUJKDBSA-N 0 1 415.490 4.378 20 5 HIBDMN COc1cccc([C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)N2CCCC2)c1 ZINC000043342921 848412742 /nfs/dbraw/zinc/41/27/42/848412742.db2.gz QTOBJKCCVPUAJT-LJQANCHMSA-N 0 1 418.881 4.215 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000045820548 848735071 /nfs/dbraw/zinc/73/50/71/848735071.db2.gz ZVVSOUWXWYCEEB-NWDGAFQWSA-N 0 1 411.380 4.300 20 5 HIBDMN Cc1[nH]c(SCC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)nc1Cc1ccccc1 ZINC000053268877 849688314 /nfs/dbraw/zinc/68/83/14/849688314.db2.gz RYBDYLQFULSACW-AWEZNQCLSA-N 0 1 410.499 4.187 20 5 HIBDMN CSc1ccc([N+](=O)[O-])c(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000053372008 849701441 /nfs/dbraw/zinc/70/14/41/849701441.db2.gz HSFJOFBUWZBRME-UHFFFAOYSA-N 0 1 419.934 4.365 20 5 HIBDMN CCc1cc(NC2CCN(Cc3ccncc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000053573761 849733649 /nfs/dbraw/zinc/73/36/49/849733649.db2.gz GZUUNBHTASYHBU-UHFFFAOYSA-N 0 1 418.501 4.086 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](C)c1ccccc1OC(C)C ZINC000055152138 849977912 /nfs/dbraw/zinc/97/79/12/849977912.db2.gz KVJHWORSORDGQR-HUUCEWRRSA-N 0 1 401.463 4.068 20 5 HIBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(COCc2ccco2)c1 ZINC000055633054 850083643 /nfs/dbraw/zinc/08/36/43/850083643.db2.gz PHGYPBPTDNAJQZ-UHFFFAOYSA-N 0 1 402.428 4.014 20 5 HIBDMN CCCOc1ccc([C@H](C)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC ZINC000056161994 850264503 /nfs/dbraw/zinc/26/45/03/850264503.db2.gz PBLSXIVIGBUHBC-LSDHHAIUSA-N 0 1 401.463 4.070 20 5 HIBDMN CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)cc1OC ZINC000061231616 851324535 /nfs/dbraw/zinc/32/45/35/851324535.db2.gz QDZOJSQVRGQVRR-QGZVFWFLSA-N 0 1 424.457 4.164 20 5 HIBDMN CCOc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c(C(F)(F)F)c1 ZINC000064375090 851881814 /nfs/dbraw/zinc/88/18/14/851881814.db2.gz DYHYZCHOJOWJLR-UHFFFAOYSA-N 0 1 404.366 4.122 20 5 HIBDMN CCCCc1nc2ccc(NC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)cc2[nH]1 ZINC000065904001 852310022 /nfs/dbraw/zinc/31/00/22/852310022.db2.gz KCNVOGQCYANZLB-UHFFFAOYSA-N 0 1 404.430 4.252 20 5 HIBDMN Cc1nn(CCC(=O)Nc2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)c(C)c1[N+](=O)[O-] ZINC000078557173 852519533 /nfs/dbraw/zinc/51/95/33/852519533.db2.gz KMTNAKFFFAGPRD-UHFFFAOYSA-N 0 1 422.420 4.119 20 5 HIBDMN CCOc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)cc1[N+](=O)[O-] ZINC000097038287 852576447 /nfs/dbraw/zinc/57/64/47/852576447.db2.gz BINLFRMZWRMJKZ-QFIPXVFZSA-N 0 1 416.437 4.389 20 5 HIBDMN CCN(Cc1cc(Br)ccc1F)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000106016797 852747389 /nfs/dbraw/zinc/74/73/89/852747389.db2.gz GUZOXJGOSFUERR-UHFFFAOYSA-N 0 1 421.226 4.035 20 5 HIBDMN O=[N+]([O-])c1cccc(CNCc2ccc(Br)c(Br)c2)c1 ZINC000124546024 853370909 /nfs/dbraw/zinc/37/09/09/853370909.db2.gz CYUCIIDXJKYPPJ-UHFFFAOYSA-N 0 1 400.070 4.410 20 5 HIBDMN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H](CC(F)(F)F)c1ccccc1 ZINC000146926133 853578787 /nfs/dbraw/zinc/57/87/87/853578787.db2.gz CMMRCXVMOJYYPZ-GFCCVEGCSA-N 0 1 408.785 4.220 20 5 HIBDMN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000150189543 853640807 /nfs/dbraw/zinc/64/08/07/853640807.db2.gz JQWHAUIGIYQUKR-UHFFFAOYSA-N 0 1 415.247 4.020 20 5 HIBDMN CCN(CC)S(=O)(=O)c1ccc([C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000216264602 853848453 /nfs/dbraw/zinc/84/84/53/853848453.db2.gz RSKREYYZJWZMRR-HOTGVXAUSA-N 0 1 405.520 4.037 20 5 HIBDMN CCOc1ccc([N+](=O)[O-])cc1CNCCc1nc(-c2cccc(Cl)c2)no1 ZINC000236846886 853928999 /nfs/dbraw/zinc/92/89/99/853928999.db2.gz SGWHBMKANBTRRF-UHFFFAOYSA-N 0 1 402.838 4.029 20 5 HIBDMN CCCC[C@H](NCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000236880875 853932139 /nfs/dbraw/zinc/93/21/39/853932139.db2.gz ACKHEWBYUYSDSJ-QFIPXVFZSA-N 0 1 410.518 4.482 20 5 HIBDMN CCC[C@@H](NCc1ccc(C)c([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000236913491 853937097 /nfs/dbraw/zinc/93/70/97/853937097.db2.gz RZTIOZREJBZPHA-OAQYLSRUSA-N 0 1 410.518 4.400 20 5 HIBDMN COc1ncccc1CNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237124325 853967555 /nfs/dbraw/zinc/96/75/55/853967555.db2.gz NFNAZUNGMTUMMM-UHFFFAOYSA-N 0 1 415.453 4.141 20 5 HIBDMN COc1cc(CN[C@@H](C)c2cn(C)nc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237174935 853975535 /nfs/dbraw/zinc/97/55/35/853975535.db2.gz XYDKRDQLZUPGTO-HNNXBMFYSA-N 0 1 410.474 4.075 20 5 HIBDMN COCc1cc(CNCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)ccc1F ZINC000237247739 853990030 /nfs/dbraw/zinc/99/00/30/853990030.db2.gz AMHOPSFLFHJEAY-UHFFFAOYSA-N 0 1 400.406 4.439 20 5 HIBDMN COc1ccccc1[C@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)N(C)C ZINC000237272059 853995535 /nfs/dbraw/zinc/99/55/35/853995535.db2.gz CZBSLYASRDBHRI-IBGZPJMESA-N 0 1 412.515 4.119 20 5 HIBDMN COc1ccc(CNc2ccc(NC(=O)CN3CCCCCC3)cc2)cc1[N+](=O)[O-] ZINC000237401893 854023436 /nfs/dbraw/zinc/02/34/36/854023436.db2.gz NDDZWKAWJHNNNO-UHFFFAOYSA-N 0 1 412.490 4.030 20 5 HIBDMN COc1ccc(-c2ccc(CNCc3ccc(N4CCCC4)nc3)o2)c([N+](=O)[O-])c1 ZINC000237419754 854028888 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CC(C)c1[nH]nc(C(=O)Nc2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)c1[N+](=O)[O-] ZINC000437496203 862852478 /nfs/dbraw/zinc/85/24/78/862852478.db2.gz PTYJSKFLRDWFAL-UHFFFAOYSA-N 0 1 417.429 4.146 20 5 HIBDMN CC(C)c1[nH]nc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)c1[N+](=O)[O-] ZINC000437496203 862852482 /nfs/dbraw/zinc/85/24/82/862852482.db2.gz PTYJSKFLRDWFAL-UHFFFAOYSA-N 0 1 417.429 4.146 20 5 HIBDMN CC(C)c1[nH]nc(C(=O)N(C)Cc2cc(Br)ccc2Cl)c1[N+](=O)[O-] ZINC000427796309 856959294 /nfs/dbraw/zinc/95/92/94/856959294.db2.gz HRMQIQOFUVOORF-UHFFFAOYSA-N 0 1 415.675 4.129 20 5 HIBDMN O=C(Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000437535253 862871156 /nfs/dbraw/zinc/87/11/56/862871156.db2.gz GCANVONJWSQKQH-UHFFFAOYSA-N 0 1 403.373 4.438 20 5 HIBDMN O=C(Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000437535253 862871157 /nfs/dbraw/zinc/87/11/57/862871157.db2.gz GCANVONJWSQKQH-UHFFFAOYSA-N 0 1 403.373 4.438 20 5 HIBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])n2)o1 ZINC000429267772 857582548 /nfs/dbraw/zinc/58/25/48/857582548.db2.gz NVMWYLIWJYIFCA-UHFFFAOYSA-N 0 1 419.397 4.113 20 5 HIBDMN COC(=O)[C@]1(c2ccccc2)CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000430107074 858034176 /nfs/dbraw/zinc/03/41/76/858034176.db2.gz SRDFYUOLKCMLEH-JOCHJYFZSA-N 0 1 423.494 4.035 20 5 HIBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000467541280 881364201 /nfs/dbraw/zinc/36/42/01/881364201.db2.gz DWYKZNJIDJXWBV-UHFFFAOYSA-N 0 1 420.816 4.348 20 5 HIBDMN CC1(C)C[C@@H](NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433177130 859555189 /nfs/dbraw/zinc/55/51/89/859555189.db2.gz PZTKMRCLBUBDNJ-DENIHFKCSA-N 0 1 423.513 4.016 20 5 HIBDMN CC1(C)C[C@H](NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433177135 859555647 /nfs/dbraw/zinc/55/56/47/859555647.db2.gz PZTKMRCLBUBDNJ-UGKGYDQZSA-N 0 1 423.513 4.016 20 5 HIBDMN 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ZINC000470184164 884473821 /nfs/dbraw/zinc/47/38/21/884473821.db2.gz QSDNSBNMOJATCO-LVZFUZTISA-N 0 1 407.514 4.165 20 5 HIBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470665967 885095099 /nfs/dbraw/zinc/09/50/99/885095099.db2.gz GYBVOSAGQRLPEL-XLIONFOSSA-N 0 1 413.543 4.198 20 5 HIBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nnc(C(C)(C)c2ccccc2)s1 ZINC000470875794 885363428 /nfs/dbraw/zinc/36/34/28/885363428.db2.gz KIUJMSGXHNIMHH-UHFFFAOYSA-N 0 1 412.471 4.423 20 5 HIBDMN CN(c1ccccc1)c1ccc(CN2CCSC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000473063473 887884755 /nfs/dbraw/zinc/88/47/55/887884755.db2.gz RRRUPOHEBYKWNQ-UHFFFAOYSA-N 0 1 413.543 4.461 20 5 HIBDMN COC(=O)COc1ccc(CN[C@H](C)c2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000474358743 889237571 /nfs/dbraw/zinc/23/75/71/889237571.db2.gz BIRZXVCRARTFOI-GFCCVEGCSA-N 0 1 412.364 4.016 20 5 HIBDMN C[C@@H]1CN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[C@@]2(CCOC2)O1 ZINC000475627343 890564489 /nfs/dbraw/zinc/56/44/89/890564489.db2.gz QVNXCLAKLQMCQL-QVKFZJNVSA-N 0 1 418.877 4.420 20 5 HIBDMN CC1(C)CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@@]2(CCOC2)O1 ZINC000475630900 890570906 /nfs/dbraw/zinc/57/09/06/890570906.db2.gz KHUICZXEOAKDIA-HXUWFJFHSA-N 0 1 406.866 4.278 20 5 HIBDMN COc1c(C(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)cccc1[N+](=O)[O-] ZINC000476288888 891205230 /nfs/dbraw/zinc/20/52/30/891205230.db2.gz PTZKNCISPSKMHN-INIZCTEOSA-N 0 1 400.822 4.110 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCc2cc(-c3ccccc3)oc2C1 ZINC000477073328 892006793 /nfs/dbraw/zinc/00/67/93/892006793.db2.gz QBUZVAKNOFFCTL-UHFFFAOYSA-N 0 1 421.453 4.250 20 5 HIBDMN CCOc1ccc([C@H](C)N[C@H](C)c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] ZINC000504893218 913621796 /nfs/dbraw/zinc/62/17/96/913621796.db2.gz CYXYNKQKESAAKE-UONOGXRCSA-N 0 1 404.463 4.431 20 5 HIBDMN CCOc1ccc([C@H](C)NCC(=O)Nc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000504899142 913629737 /nfs/dbraw/zinc/62/97/37/913629737.db2.gz BGDCPLUXGYSTRM-LBPRGKRZSA-N 0 1 422.279 4.045 20 5 HIBDMN CCOc1ccc([C@H](C)NCc2cccc(C(=O)NCc3ccco3)c2)cc1[N+](=O)[O-] ZINC000504906505 913641249 /nfs/dbraw/zinc/64/12/49/913641249.db2.gz YZQILXSJKBYTIY-INIZCTEOSA-N 0 1 423.469 4.367 20 5 HIBDMN CCOc1ccc([C@H](C)N[C@H](CN2CCOCC2)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000504911311 913644440 /nfs/dbraw/zinc/64/44/40/913644440.db2.gz DPLRCILOLNPMGE-GHTZIAJQSA-N 0 1 413.518 4.026 20 5 HIBDMN CCOc1ccc([C@H](C)NCc2cccc(NC(=O)c3ccccn3)c2)cc1[N+](=O)[O-] ZINC000504927170 913665619 /nfs/dbraw/zinc/66/56/19/913665619.db2.gz NLHYVQYNRPOSFH-INIZCTEOSA-N 0 1 420.469 4.492 20 5 HIBDMN Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2NCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000477723508 892827031 /nfs/dbraw/zinc/82/70/31/892827031.db2.gz JUEZMKUXEPGYGD-PZJWPPBQSA-N 0 1 402.516 4.086 20 5 HIBDMN Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2NCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000477723506 892827213 /nfs/dbraw/zinc/82/72/13/892827213.db2.gz JUEZMKUXEPGYGD-CTNGQTDRSA-N 0 1 402.516 4.086 20 5 HIBDMN COc1cc(C(=O)N2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)cc([N+](=O)[O-])c1C ZINC000478329298 893563408 /nfs/dbraw/zinc/56/34/08/893563408.db2.gz LLXSAKVXBQYINB-OAHLLOKOSA-N 0 1 408.458 4.116 20 5 HIBDMN CCS(=O)(=O)c1c(Cl)cccc1CNCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000479478871 894802034 /nfs/dbraw/zinc/80/20/34/894802034.db2.gz ITQHLIQJKVGYIX-UHFFFAOYSA-N 0 1 417.314 4.028 20 5 HIBDMN CC[C@@H](Cc1ccccc1Br)N(C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000479776504 895079637 /nfs/dbraw/zinc/07/96/37/895079637.db2.gz HQKPHWCDIJEVOU-ZDUSSCGKSA-N 0 1 423.311 4.297 20 5 HIBDMN C[C@@H]1CN(Cc2ccccc2CNc2ccc3ncccc3c2[N+](=O)[O-])C[C@H](C)O1 ZINC000480431824 895825287 /nfs/dbraw/zinc/82/52/87/895825287.db2.gz LMHZUBZTTBNGCP-CALCHBBNSA-N 0 1 406.486 4.364 20 5 HIBDMN CN(Cc1ccc(Br)cc1Cl)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000482353736 897867878 /nfs/dbraw/zinc/86/78/78/897867878.db2.gz RWABXOVCZPEXHB-UHFFFAOYSA-N 0 1 423.654 4.159 20 5 HIBDMN COC(=O)COc1ccc(CN(C)Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000482506937 898090513 /nfs/dbraw/zinc/09/05/13/898090513.db2.gz QDCYWEMYXYHMPK-UHFFFAOYSA-N 0 1 410.426 4.039 20 5 HIBDMN CN(c1ccccc1)c1ccc(CN[C@H](c2nnc[nH]2)c2ccccc2)cc1[N+](=O)[O-] ZINC000482533179 898121082 /nfs/dbraw/zinc/12/10/82/898121082.db2.gz LTNGTIGTPHNUTK-QFIPXVFZSA-N 0 1 414.469 4.360 20 5 HIBDMN C[C@@H](NCc1cccc(NC(=O)NCc2ccncc2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000482952465 898581239 /nfs/dbraw/zinc/58/12/39/898581239.db2.gz BRLSKNLOTAIQIQ-MRXNPFEDSA-N 0 1 405.458 4.162 20 5 HIBDMN O=C(Nc1nc2ccc(OCC(F)(F)F)cc2s1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505780552 914446460 /nfs/dbraw/zinc/44/64/60/914446460.db2.gz CPKQNNBVIGUCCY-UHFFFAOYSA-N 0 1 413.333 4.104 20 5 HIBDMN CC[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cc(F)cc(Br)c1 ZINC000485834232 901081031 /nfs/dbraw/zinc/08/10/31/901081031.db2.gz WKAKZBXYPNPMRU-KRWDZBQOSA-N 0 1 424.270 4.200 20 5 HIBDMN CSc1cccc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000486108871 901294680 /nfs/dbraw/zinc/29/46/80/901294680.db2.gz MVSZMINHIBBTIB-UHFFFAOYSA-N 0 1 419.934 4.365 20 5 HIBDMN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](NCCc1cscn1)c1ccccc1 ZINC000486749612 901828048 /nfs/dbraw/zinc/82/80/48/901828048.db2.gz XNOXGHXJWHRGKC-GOSISDBHSA-N 0 1 416.890 4.217 20 5 HIBDMN CC1(C)CC[C@H](CN[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)O1 ZINC000488181773 902670089 /nfs/dbraw/zinc/67/00/89/902670089.db2.gz FWGRNHAGDYNYFZ-APWZRJJASA-N 0 1 417.893 4.475 20 5 HIBDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)n[nH]1 ZINC000489190092 903249996 /nfs/dbraw/zinc/24/99/96/903249996.db2.gz SHPUUGRCKZGAQF-CABCVRRESA-N 0 1 422.489 4.330 20 5 HIBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)n[nH]1 ZINC000489190094 903250901 /nfs/dbraw/zinc/25/09/01/903250901.db2.gz SHPUUGRCKZGAQF-HUUCEWRRSA-N 0 1 422.489 4.330 20 5 HIBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000489968635 903703330 /nfs/dbraw/zinc/70/33/30/903703330.db2.gz XOFFSHBBVSJORP-HNNXBMFYSA-N 0 1 400.454 4.389 20 5 HIBDMN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000491029470 904380883 /nfs/dbraw/zinc/38/08/83/904380883.db2.gz VOAJCGHFAKVMII-UHFFFAOYSA-N 0 1 402.451 4.288 20 5 HIBDMN COc1ccc(CN(Cc2ccccc2)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)cc1 ZINC000491755418 904691797 /nfs/dbraw/zinc/69/17/97/904691797.db2.gz AYNMOLDYIDEUAI-UHFFFAOYSA-N 0 1 416.437 4.322 20 5 HIBDMN CCOc1cc(CN[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)ccc1[N+](=O)[O-] ZINC000492752703 904897597 /nfs/dbraw/zinc/89/75/97/904897597.db2.gz XEXVJYPAWCYBRS-INIZCTEOSA-N 0 1 420.469 4.492 20 5 HIBDMN COc1cc(CN[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)ccc1[N+](=O)[O-] ZINC000492758361 904899485 /nfs/dbraw/zinc/89/94/85/904899485.db2.gz UUMJAVBWPXJMJE-OAHLLOKOSA-N 0 1 406.442 4.102 20 5 HIBDMN C[C@H]1[C@@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CCN1Cc1ccccc1 ZINC000494059021 905397574 /nfs/dbraw/zinc/39/75/74/905397574.db2.gz HOOHEEWNTOWCOQ-JTSKRJEESA-N 0 1 411.505 4.074 20 5 HIBDMN CC(=O)N1CC[C@H](NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c2ccccc2C1 ZINC000494443417 905729126 /nfs/dbraw/zinc/72/91/26/905729126.db2.gz BGJOZGYMDOGHSR-IBGZPJMESA-N 0 1 407.392 4.197 20 5 HIBDMN CC(C)CN1Cc2cccc(NC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)c2C1 ZINC000494536195 905818448 /nfs/dbraw/zinc/81/84/48/905818448.db2.gz IAWUXLUJILAGHX-UHFFFAOYSA-N 0 1 405.458 4.004 20 5 HIBDMN C[C@@H]1CCN(C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000495039082 906194631 /nfs/dbraw/zinc/19/46/31/906194631.db2.gz HNKIWDZRORHGJV-OAHLLOKOSA-N 0 1 416.909 4.027 20 5 HIBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000497504671 906990795 /nfs/dbraw/zinc/99/07/95/906990795.db2.gz FMKCGXMHAXZGRL-GOSISDBHSA-N 0 1 410.480 4.382 20 5 HIBDMN Cn1cc(CN(Cc2cccc(F)c2)C[C@@H]2CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000512697708 921291093 /nfs/dbraw/zinc/29/10/93/921291093.db2.gz UPEPWYZIZHLGPL-QFIPXVFZSA-N 0 1 424.476 4.316 20 5 HIBDMN O=C(Nc1nc(-c2cccs2)ns1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000497976511 907450162 /nfs/dbraw/zinc/45/01/62/907450162.db2.gz MYZRPZQMEDJZGA-UHFFFAOYSA-N 0 1 400.363 4.446 20 5 HIBDMN Cc1cccc([C@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c2ccccn2)c1 ZINC000497985990 907464500 /nfs/dbraw/zinc/46/45/00/907464500.db2.gz XBKOSRIPUYNUKA-SFHVURJKSA-N 0 1 417.874 4.020 20 5 HIBDMN O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498160903 907688318 /nfs/dbraw/zinc/68/83/18/907688318.db2.gz MAJTWQGKAVFNTG-UHFFFAOYSA-N 0 1 410.393 4.334 20 5 HIBDMN CC[C@H](NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@@H](O)C(F)(F)F ZINC000498350028 907852437 /nfs/dbraw/zinc/85/24/37/907852437.db2.gz OVMVFHPYXDUSGV-WMLDXEAASA-N 0 1 402.344 4.318 20 5 HIBDMN Cc1ccc(CN2CCSCC2)cc1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000502443633 911427986 /nfs/dbraw/zinc/42/79/86/911427986.db2.gz OLVWDPAZINFKPP-UHFFFAOYSA-N 0 1 410.499 4.186 20 5 HIBDMN Cc1cc(CN2CCSCC2)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000502492274 911491344 /nfs/dbraw/zinc/49/13/44/911491344.db2.gz FZSPQZDEMXFMIT-UHFFFAOYSA-N 0 1 405.907 4.358 20 5 HIBDMN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](NCC[C@H]1CCCCO1)c1ccccc1 ZINC000502619405 911644178 /nfs/dbraw/zinc/64/41/78/911644178.db2.gz VEAWBLUUXHUSOQ-XLIONFOSSA-N 0 1 417.893 4.477 20 5 HIBDMN Cn1cc(CN2CCC(C(=O)c3ccccc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506646981 915316011 /nfs/dbraw/zinc/31/60/11/915316011.db2.gz DVJUCEUSLWRNHR-UHFFFAOYSA-N 0 1 404.470 4.090 20 5 HIBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CCCc1cc(-c2ccccc2)no1 ZINC000507177832 915922377 /nfs/dbraw/zinc/92/23/77/915922377.db2.gz HEAQVOVKTVMODI-INIZCTEOSA-N 0 1 408.458 4.141 20 5 HIBDMN CC(C)N1CC[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000507361665 916116905 /nfs/dbraw/zinc/11/69/05/916116905.db2.gz MTPQICOQXLINAB-OALUTQOASA-N 0 1 421.856 4.047 20 5 HIBDMN O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000509355347 918020018 /nfs/dbraw/zinc/02/00/18/918020018.db2.gz CHQBWPCQJSEBLN-QQNRWZHASA-N 0 1 400.866 4.007 20 5 HIBDMN CCN(CC)[C@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)c1ccco1 ZINC000509457130 918109383 /nfs/dbraw/zinc/10/93/83/918109383.db2.gz ZHUCYNGWBGNUFM-LJQANCHMSA-N 0 1 402.495 4.191 20 5 HIBDMN COc1ccc(CN[C@H]2CCCc3nn(C)cc32)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000509948483 918544098 /nfs/dbraw/zinc/54/40/98/918544098.db2.gz IZEQYLDNXSHHCT-FQEVSTJZSA-N 0 1 422.485 4.083 20 5 HIBDMN Cc1ccccc1[C@H]([C@H](C)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)N(C)C ZINC000510556260 919000751 /nfs/dbraw/zinc/00/07/51/919000751.db2.gz XFNMAERMIDIRKL-XDHUDOTRSA-N 0 1 413.521 4.411 20 5 HIBDMN CC(C)c1ccc(CN2CCC(NC(=O)NC3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000511764126 920446291 /nfs/dbraw/zinc/44/62/91/920446291.db2.gz CIWNYYWEDWCZAH-UHFFFAOYSA-N 0 1 402.539 4.315 20 5 HIBDMN Cc1cc([C@@H]2CCCN(C(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)C2)n[nH]1 ZINC000514035043 922356946 /nfs/dbraw/zinc/35/69/46/922356946.db2.gz SQBKYJRZJQTKRP-CYBMUJFWSA-N 0 1 422.435 4.011 20 5 HIBDMN Cc1c(NC(=O)[C@H](C)Sc2nc(C=Cc3ccccc3)n[nH]2)cccc1[N+](=O)[O-] ZINC000514968645 922858922 /nfs/dbraw/zinc/85/89/22/922858922.db2.gz POAGXYYNLMJRBM-NYHXXUGCSA-N 0 1 409.471 4.311 20 5 HIBDMN Cc1c(NC(=O)N2CCN(Cc3cccc4ccccc43)CC2)cccc1[N+](=O)[O-] ZINC000515107407 922921129 /nfs/dbraw/zinc/92/11/29/922921129.db2.gz RVXNQRATGMKFOC-UHFFFAOYSA-N 0 1 404.470 4.406 20 5 HIBDMN COc1ccc(C(=O)Nc2cccc(CNCc3ccc(OC)c([N+](=O)[O-])c3)c2)cc1 ZINC000518775930 927485839 /nfs/dbraw/zinc/48/58/39/927485839.db2.gz JBXSZVCZUMXNIQ-UHFFFAOYSA-N 0 1 421.453 4.154 20 5 HIBDMN Cc1ccc2nc([C@H]3CCCN(c4c(Br)cncc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000519606332 928027037 /nfs/dbraw/zinc/02/70/37/928027037.db2.gz DWPCKUQONSSZFK-LBPRGKRZSA-N 0 1 416.279 4.321 20 5 HIBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc(COCCc3ccccc3)c2)c1 ZINC000519945702 928178002 /nfs/dbraw/zinc/17/80/02/928178002.db2.gz CDRZFTJICNEDMO-UHFFFAOYSA-N 0 1 412.467 4.155 20 5 HIBDMN COc1ccc(CN[C@H](C)c2cnn(C)c2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000520951694 928886250 /nfs/dbraw/zinc/88/62/50/928886250.db2.gz IGOSFZRSUBJLOC-OAHLLOKOSA-N 0 1 410.474 4.075 20 5 HIBDMN Cc1ccc(Sc2ccc(C(=O)N(C)[C@H]3CN4CCC3CC4)cc2[N+](=O)[O-])cc1 ZINC000524695428 929802763 /nfs/dbraw/zinc/80/27/63/929802763.db2.gz IGOGYENYBZEGBG-FQEVSTJZSA-N 0 1 411.527 4.221 20 5 HIBDMN O=C(N[C@@H](COCc1ccccc1)c1ccccc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000524846331 929855630 /nfs/dbraw/zinc/85/56/30/929855630.db2.gz MEPURZPZDOHXCC-NRFANRHFSA-N 0 1 416.437 4.159 20 5 HIBDMN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000531692068 931156329 /nfs/dbraw/zinc/15/63/29/931156329.db2.gz FJTMZMZYFLUXOC-SJORKVTESA-N 0 1 419.547 4.346 20 5 HIBDMN CC[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1OCC(=O)N1CCCC1 ZINC000531955435 931263680 /nfs/dbraw/zinc/26/36/80/931263680.db2.gz DKPIBADTFXWYJJ-UTKZUKDTSA-N 0 1 411.502 4.398 20 5 HIBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000532579341 931539061 /nfs/dbraw/zinc/53/90/61/931539061.db2.gz SAXGEVGVJHKRGS-UHFFFAOYSA-N 0 1 413.318 4.049 20 5 HIBDMN Cc1ccc(C[C@H](C)N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000532968520 931718428 /nfs/dbraw/zinc/71/84/28/931718428.db2.gz JZFJIBIHPXDELH-AWEZNQCLSA-N 0 1 420.307 4.167 20 5 HIBDMN O=[N+]([O-])c1cccc(-c2nc(CNCCOc3ncccc3C(F)(F)F)cs2)c1 ZINC000533007711 931733862 /nfs/dbraw/zinc/73/38/62/931733862.db2.gz JXGDEVQZSCFNTQ-UHFFFAOYSA-N 0 1 424.404 4.301 20 5 HIBDMN COc1cc(CNC2(c3ccccc3)CCOCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000533381316 931853428 /nfs/dbraw/zinc/85/34/28/931853428.db2.gz LIDOJMHCTIZGGR-UHFFFAOYSA-N 0 1 408.401 4.000 20 5 HIBDMN CN1CC[C@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534227486 932346570 /nfs/dbraw/zinc/34/65/70/932346570.db2.gz XRESXTGYCRBASJ-IIBYNOLFSA-N 0 1 419.884 4.129 20 5 HIBDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)c4c[nH]c5ccc([N+](=O)[O-])cc45)C3)[nH]c2c1 ZINC000534937567 932846665 /nfs/dbraw/zinc/84/66/65/932846665.db2.gz RVOIGWRHPXZRHP-CQSZACIVSA-N 0 1 403.442 4.281 20 5 HIBDMN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cc(Br)cc(Cl)c1O ZINC000534941434 932848879 /nfs/dbraw/zinc/84/88/79/932848879.db2.gz KAHZIHPAVAJEDA-UHFFFAOYSA-N 0 1 424.638 4.379 20 5 HIBDMN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[C@@H](C3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000535115191 932932640 /nfs/dbraw/zinc/93/26/40/932932640.db2.gz DLRLIBPPFGGOLF-NFBKMPQASA-N 0 1 423.513 4.332 20 5 HIBDMN Cc1ccc(C(=O)NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000535673415 933321119 /nfs/dbraw/zinc/32/11/19/933321119.db2.gz XTNUHYOUSCKNNN-KXBFYZLASA-N 0 1 405.857 4.119 20 5 HIBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535682581 933335935 /nfs/dbraw/zinc/33/59/35/933335935.db2.gz VTQKRQKLIKRKCQ-KUHUBIRLSA-N 0 1 405.857 4.119 20 5 HIBDMN COc1ccc([C@H](CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)N2CCCC2)cc1 ZINC000537644529 938344985 /nfs/dbraw/zinc/34/49/85/938344985.db2.gz MBXYNBHQVYZTKE-FQEVSTJZSA-N 0 1 411.502 4.096 20 5 HIBDMN Cc1ccc2nc([C@H]3CCCN([C@@H](C)C(=O)Nc4cccc([N+](=O)[O-])c4C)C3)[nH]c2c1 ZINC000538148515 938521438 /nfs/dbraw/zinc/52/14/38/938521438.db2.gz WABREDSZYHXTDB-IRXDYDNUSA-N 0 1 421.501 4.295 20 5 HIBDMN CCOc1cccc([C@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000538175899 938536550 /nfs/dbraw/zinc/53/65/50/938536550.db2.gz FZAWXEPZZXQXNN-LBPRGKRZSA-N 0 1 422.279 4.045 20 5 HIBDMN COc1cc(CN[C@H](C[C@@H]2CCOC2)c2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000538234503 938568592 /nfs/dbraw/zinc/56/85/92/938568592.db2.gz RCNQRKVKBBEBTF-WMLDXEAASA-N 0 1 422.428 4.462 20 5 HIBDMN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC000538237070 938569933 /nfs/dbraw/zinc/56/99/33/938569933.db2.gz HWHSLFKFQQWKIJ-MRXNPFEDSA-N 0 1 413.543 4.272 20 5 HIBDMN COc1ccccc1-c1ccc([C@H](C)NCc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000538258230 938576509 /nfs/dbraw/zinc/57/65/09/938576509.db2.gz WTVQLUIQIYOREW-HNNXBMFYSA-N 0 1 405.454 4.220 20 5 HIBDMN COc1cccc([C@@H](C)NCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 ZINC000539232538 938822755 /nfs/dbraw/zinc/82/27/55/938822755.db2.gz IAKRGHOSNLZRSP-CYBMUJFWSA-N 0 1 412.471 4.016 20 5 HIBDMN CC[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1OCC(=O)N1CCCC1 ZINC000539254463 938827402 /nfs/dbraw/zinc/82/74/02/938827402.db2.gz QURORWIZTFHYAT-PXNSSMCTSA-N 0 1 411.502 4.398 20 5 HIBDMN Cc1nc(-c2ccc([C@@H](C)NCC(=O)N(C)c3ccc([N+](=O)[O-])cc3)cc2)cs1 ZINC000539280877 938832735 /nfs/dbraw/zinc/83/27/35/938832735.db2.gz IMUKTVHHJXMMBM-CQSZACIVSA-N 0 1 410.499 4.340 20 5 HIBDMN COc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(-c3cccnc3)cc2)c([N+](=O)[O-])c1 ZINC000539333493 938843211 /nfs/dbraw/zinc/84/32/11/938843211.db2.gz CVLPVLKZZZOZGT-JKSUJKDBSA-N 0 1 420.469 4.343 20 5 HIBDMN CCOc1ccc(NC(=O)CN[C@H](C)c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000539346768 938846111 /nfs/dbraw/zinc/84/61/11/938846111.db2.gz ZOIHSWICDVFVND-GFCCVEGCSA-N 0 1 411.380 4.302 20 5 HIBDMN Cc1ccc([C@@H](C)NCC(=O)Nc2ccc3[nH]c(C(F)(F)F)nc3c2)cc1[N+](=O)[O-] ZINC000539376539 938851216 /nfs/dbraw/zinc/85/12/16/938851216.db2.gz JDMGQUJWLXECGP-LLVKDONJSA-N 0 1 421.379 4.088 20 5 HIBDMN CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539723563 938913503 /nfs/dbraw/zinc/91/35/03/938913503.db2.gz IGMJKLQICRLSFW-APWZRJJASA-N 0 1 421.856 4.047 20 5 HIBDMN CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539723563 938913504 /nfs/dbraw/zinc/91/35/04/938913504.db2.gz IGMJKLQICRLSFW-APWZRJJASA-N 0 1 421.856 4.047 20 5 HIBDMN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000539746411 938919552 /nfs/dbraw/zinc/91/95/52/938919552.db2.gz WZQLFMAUYRINQN-INIZCTEOSA-N 0 1 422.489 4.262 20 5 HIBDMN CCOc1ccc(C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)cc1[N+](=O)[O-] ZINC000539758483 938925097 /nfs/dbraw/zinc/92/50/97/938925097.db2.gz MJXCGOAXGSHYBQ-UHFFFAOYSA-N 0 1 403.398 4.184 20 5 HIBDMN CN(c1ccccc1)c1ccc(CN2CCC(N3CCCCC3=O)CC2)cc1[N+](=O)[O-] ZINC000539821112 938944625 /nfs/dbraw/zinc/94/46/25/938944625.db2.gz ZLHIPEKABPJJNU-UHFFFAOYSA-N 0 1 422.529 4.340 20 5 HIBDMN CCOc1ccccc1[C@H](CC)N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000540350783 939202430 /nfs/dbraw/zinc/20/24/30/939202430.db2.gz DAPKXOSUTXUPPP-PBHICJAKSA-N 0 1 401.463 4.070 20 5 HIBDMN CCOc1ccc(NC(=O)CN[C@H](C)c2ccc(OC(C)C)cc2)c([N+](=O)[O-])c1 ZINC000540361605 939210307 /nfs/dbraw/zinc/21/03/07/939210307.db2.gz KIAVGTCOXJNYPW-OAHLLOKOSA-N 0 1 401.463 4.070 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000540440467 939251130 /nfs/dbraw/zinc/25/11/30/939251130.db2.gz WKVVQYDOFGLSTE-JKSUJKDBSA-N 0 1 420.469 4.343 20 5 HIBDMN CCOc1ccc([C@@H]2CCCN2C(=O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000540476077 939267320 /nfs/dbraw/zinc/26/73/20/939267320.db2.gz QIDRPZCIGPSYOG-UWJYYQICSA-N 0 1 411.502 4.316 20 5 HIBDMN CCOc1ccc([C@H]2CCCN2C(=O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000540476073 939267541 /nfs/dbraw/zinc/26/75/41/939267541.db2.gz QIDRPZCIGPSYOG-LAUBAEHRSA-N 0 1 411.502 4.316 20 5 HIBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(CN2CCSCC2)c1C ZINC000540547172 939300525 /nfs/dbraw/zinc/30/05/25/939300525.db2.gz PKSYQZNFIKYNIY-UHFFFAOYSA-N 0 1 415.515 4.103 20 5 HIBDMN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H](CO)CC(F)(F)F)o2)c(Br)c1 ZINC000540620025 939322243 /nfs/dbraw/zinc/32/22/43/939322243.db2.gz YCOMAMCOINWIEK-VIFPVBQESA-N 0 1 423.185 4.020 20 5 HIBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)c1C ZINC000540696670 939342394 /nfs/dbraw/zinc/34/23/94/939342394.db2.gz LWPIXDVJNNARKS-UHFFFAOYSA-N 0 1 424.438 4.216 20 5 HIBDMN C[C@@H]1C[C@@H]1[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000541323033 939490888 /nfs/dbraw/zinc/49/08/88/939490888.db2.gz AIRZIIORGHPCNW-VMDGZTHMSA-N 0 1 408.907 4.009 20 5 HIBDMN CCc1ccc([C@H](NC[C@H]2CCN(CC(F)(F)F)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541549126 939551732 /nfs/dbraw/zinc/55/17/32/939551732.db2.gz MOMHFNGAUCQICY-AUUYWEPGSA-N 0 1 411.424 4.313 20 5 HIBDMN CCc1ccc([C@H](NCCCNC(=O)c2occc2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541564900 939556473 /nfs/dbraw/zinc/55/64/73/939556473.db2.gz IKVCJWSRKVXTPY-HXUWFJFHSA-N 0 1 411.458 4.151 20 5 HIBDMN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCCN(Cc2ccccc2)CC1 ZINC000542337576 939803053 /nfs/dbraw/zinc/80/30/53/939803053.db2.gz FCMHFFSTDIDGDR-UHFFFAOYSA-N 0 1 419.934 4.075 20 5 HIBDMN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 ZINC000542666534 939852709 /nfs/dbraw/zinc/85/27/09/939852709.db2.gz SVILSRBPRHIYTE-NSHDSACASA-N 0 1 403.287 4.026 20 5 HIBDMN CN(Cc1ccccc1)Cc1cccc(C(=O)NCCc2cccc([N+](=O)[O-])c2)c1 ZINC000543157099 939979894 /nfs/dbraw/zinc/97/98/94/939979894.db2.gz SPPLCHWVNCVTIY-UHFFFAOYSA-N 0 1 403.482 4.199 20 5 HIBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H](c2ccccc2F)C2CCCC2)cc1 ZINC000543184990 939989322 /nfs/dbraw/zinc/98/93/22/939989322.db2.gz GNOBCAUTNPFVSK-HXUWFJFHSA-N 0 1 406.479 4.029 20 5 HIBDMN COc1cc(CN(C)C[C@@H](C)c2nccs2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000543392831 940049671 /nfs/dbraw/zinc/04/96/71/940049671.db2.gz CNQNRCPLXVMJQK-LLVKDONJSA-N 0 1 419.425 4.237 20 5 HIBDMN O=[N+]([O-])c1ccc(CNC[C@@H](c2ccccc2Cl)N2CCOCC2)c(Cl)c1 ZINC000543395777 940050774 /nfs/dbraw/zinc/05/07/74/940050774.db2.gz WXLXLUFXEXQEEO-IBGZPJMESA-N 0 1 410.301 4.065 20 5 HIBDMN CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000543556581 940107550 /nfs/dbraw/zinc/10/75/50/940107550.db2.gz FXLNRXREVDVEGV-LPHOPBHVSA-N 0 1 421.856 4.178 20 5 HIBDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)[C@@H](C)c4ccc([N+](=O)[O-])cc4F)C3)[nH]c2c1 ZINC000543580684 940117887 /nfs/dbraw/zinc/11/78/87/940117887.db2.gz HHYOJWTVLRIVJM-LSDHHAIUSA-N 0 1 410.449 4.428 20 5 HIBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000543633353 940143465 /nfs/dbraw/zinc/14/34/65/940143465.db2.gz 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Cc1c([C@H](C)NCc2cc(Br)c3c(c2)OCCO3)cccc1[N+](=O)[O-] ZINC000539039898 938777854 /nfs/dbraw/zinc/77/78/54/938777854.db2.gz HWJRMKSJXROKSZ-LBPRGKRZSA-N 0 1 407.264 4.288 20 5 HIBDMN C[C@@H](N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1nc(-c2ccncc2)cs1 ZINC000539080701 938798061 /nfs/dbraw/zinc/79/80/61/938798061.db2.gz AVNANHYZZOEJAV-UONOGXRCSA-N 0 1 411.487 4.181 20 5 HIBDMN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](C)c1nc(-c2ccncc2)cs1 ZINC000539080704 938798451 /nfs/dbraw/zinc/79/84/51/938798451.db2.gz AVNANHYZZOEJAV-ZIAGYGMSSA-N 0 1 411.487 4.181 20 5 HIBDMN CC[C@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1OCC(=O)N1CCCC1 ZINC000539254686 938827461 /nfs/dbraw/zinc/82/74/61/938827461.db2.gz QURORWIZTFHYAT-XLIONFOSSA-N 0 1 411.502 4.398 20 5 HIBDMN COc1ccc(OCCN[C@@H](CC(F)(F)F)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000539277777 938832089 /nfs/dbraw/zinc/83/20/89/938832089.db2.gz WBDZKVSFKNMUIP-HNNXBMFYSA-N 0 1 402.344 4.405 20 5 HIBDMN Cc1cccc(COc2ccc([C@H](C)NCc3ccc(C(N)=O)cc3[N+](=O)[O-])cc2)c1 ZINC000539305354 938837553 /nfs/dbraw/zinc/83/75/53/938837553.db2.gz PMDRUHBOMPDPAZ-KRWDZBQOSA-N 0 1 419.481 4.432 20 5 HIBDMN CCC1(CO)CCN(Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000539817684 938941780 /nfs/dbraw/zinc/94/17/80/938941780.db2.gz MJVQPXGFQCLZQM-UHFFFAOYSA-N 0 1 414.502 4.167 20 5 HIBDMN CCOc1ccccc1[C@@H](CC)N[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000540352510 939204429 /nfs/dbraw/zinc/20/44/29/939204429.db2.gz OMSSAIUYIIETFA-RHSMWYFYSA-N 0 1 401.463 4.070 20 5 HIBDMN C[C@H](NCC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000540376071 939216118 /nfs/dbraw/zinc/21/61/18/939216118.db2.gz NXZLZQBPYZNLQW-AWEZNQCLSA-N 0 1 421.419 4.455 20 5 HIBDMN CC(C)Sc1ccc([C@H](C)NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000540402573 939235634 /nfs/dbraw/zinc/23/56/34/939235634.db2.gz HWNBOPVYVUBTAY-ZDUSSCGKSA-N 0 1 417.487 4.113 20 5 HIBDMN C[C@H](N[C@@H](C)c1ccc(OCC2CC2)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000540424368 939243515 /nfs/dbraw/zinc/24/35/15/939243515.db2.gz SGMRKARMGRAAFT-KBPBESRZSA-N 0 1 401.438 4.201 20 5 HIBDMN C[C@@H](N[C@H](C)c1ccc(OCC2CC2)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000540424587 939243546 /nfs/dbraw/zinc/24/35/46/939243546.db2.gz SGMRKARMGRAAFT-ZIAGYGMSSA-N 0 1 401.438 4.201 20 5 HIBDMN CN(C(=O)CN[C@H](Cc1ccccc1)c1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000540446055 939252916 /nfs/dbraw/zinc/25/29/16/939252916.db2.gz LKLYACHKMNRSFJ-JOCHJYFZSA-N 0 1 407.445 4.270 20 5 HIBDMN O=C(Nc1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541030456 939435652 /nfs/dbraw/zinc/43/56/52/939435652.db2.gz QOOQVHDSTRBKJP-UHFFFAOYSA-N 0 1 416.262 4.344 20 5 HIBDMN COc1ccc(NC(=O)CN[C@@H](c2ccc(Cl)cc2F)C(C)C)c([N+](=O)[O-])c1 ZINC000541061134 939445764 /nfs/dbraw/zinc/44/57/64/939445764.db2.gz DPPLOBFRTQIDQH-LJQANCHMSA-N 0 1 409.845 4.321 20 5 HIBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC(c3cc(C)n[nH]3)CC2)cc1OC ZINC000541122821 939468694 /nfs/dbraw/zinc/46/86/94/939468694.db2.gz SDJFXLCOILMAOH-HNNXBMFYSA-N 0 1 416.522 4.439 20 5 HIBDMN COc1ccc(Cl)cc1NC(=O)CN(C)c1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000541173180 939484227 /nfs/dbraw/zinc/48/42/27/939484227.db2.gz ITOSOGDPZKTNPP-UHFFFAOYSA-N 0 1 414.849 4.188 20 5 HIBDMN Cc1ccc(Sc2ccc(CNC[C@H]3CCCCS3(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000541383646 939502142 /nfs/dbraw/zinc/50/21/42/939502142.db2.gz LXFLPRWSGYPCTK-GOSISDBHSA-N 0 1 420.556 4.111 20 5 HIBDMN O=[N+]([O-])c1cc(CNC[C@@H]2CCCCS2(=O)=O)ccc1Oc1ccccc1Cl ZINC000541383101 939502173 /nfs/dbraw/zinc/50/21/73/939502173.db2.gz PDJVIOQAVUHMDB-HNNXBMFYSA-N 0 1 424.906 4.097 20 5 HIBDMN Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000541654308 939589552 /nfs/dbraw/zinc/58/95/52/939589552.db2.gz OBKPNKZTKAWHPJ-LBPRGKRZSA-N 0 1 414.462 4.455 20 5 HIBDMN CCN(CC)C(=O)CCC1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000542015710 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4.028 20 5 HIBDMN CN1CCCN(c2ccc(-c3noc(-c4ccc([N+](=O)[O-])cc4)n3)cc2Cl)CC1 ZINC000545068194 940538703 /nfs/dbraw/zinc/53/87/03/940538703.db2.gz HWWULUCUTDTCTG-UHFFFAOYSA-N 0 1 413.865 4.107 20 5 HIBDMN O=C(Nc1cc(Br)cc(Cl)c1O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000545560675 940574606 /nfs/dbraw/zinc/57/46/06/940574606.db2.gz CWTVXHBRFFBQGX-UHFFFAOYSA-N 0 1 410.611 4.450 20 5 HIBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCCC3(CCOCC3)C2)cc1OC ZINC000563988105 945337780 /nfs/dbraw/zinc/33/77/80/945337780.db2.gz OSFUBTJXPTYNBJ-QGZVFWFLSA-N 0 1 406.523 4.421 20 5 HIBDMN COc1cc(CN2CCOCC3(CCC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000546972939 940931563 /nfs/dbraw/zinc/93/15/63/940931563.db2.gz BFORTBFWPLDYOO-UHFFFAOYSA-N 0 1 412.486 4.185 20 5 HIBDMN CC[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCc2ccccc2C1 ZINC000549723271 941205706 /nfs/dbraw/zinc/20/57/06/941205706.db2.gz VCWZUHXHQXXZJF-INIZCTEOSA-N 0 1 421.419 4.180 20 5 HIBDMN 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948075921 /nfs/dbraw/zinc/07/59/21/948075921.db2.gz QMJNTALTUCSQTO-HUUCEWRRSA-N 0 1 417.347 4.141 20 5 HIBDMN COc1ccc(C[C@H]2CCCN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)cc1 ZINC000573590993 948244354 /nfs/dbraw/zinc/24/43/54/948244354.db2.gz ZOGCAEALKSXVCF-QGZVFWFLSA-N 0 1 408.458 4.108 20 5 HIBDMN O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164722513 720372210 /nfs/dbraw/zinc/37/22/10/720372210.db2.gz DBPXKONELMSZKZ-MSOLQXFVSA-N 0 1 409.877 4.045 20 5 HIBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000435962018 861222751 /nfs/dbraw/zinc/22/27/51/861222751.db2.gz BQYQICBOKJIFFK-INIZCTEOSA-N 0 1 409.211 4.179 20 5 HIBDMN O=[N+]([O-])c1ccc(Nc2ccccc2)c(NS(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000007051976 845243254 /nfs/dbraw/zinc/24/32/54/845243254.db2.gz QNKIASRJCTYLII-UHFFFAOYSA-N 0 1 405.382 4.417 20 5 HIBDMN C[C@H](Sc1nc(-c2ccccc2F)n[nH]1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000007183745 845274642 /nfs/dbraw/zinc/27/46/42/845274642.db2.gz AOEFWBUUESHJMW-JTQLQIEISA-N 0 1 412.406 4.422 20 5 HIBDMN O=C(Nc1ccc(F)cc1)[C@@H](NCCNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000015501226 846053709 /nfs/dbraw/zinc/05/37/09/846053709.db2.gz MCCZJIMTMGONSL-NRFANRHFSA-N 0 1 408.433 4.115 20 5 HIBDMN CSc1nc2ccc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2s1 ZINC000016153960 846131608 /nfs/dbraw/zinc/13/16/08/846131608.db2.gz XWTRSWFJXXZMJE-UHFFFAOYSA-N 0 1 415.905 4.381 20 5 HIBDMN CCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1ccccc1 ZINC000021918308 846510926 /nfs/dbraw/zinc/51/09/26/846510926.db2.gz PAKPGBWKPFOMED-UHFFFAOYSA-N 0 1 406.280 4.208 20 5 HIBDMN Cc1c(C(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000023188164 846667329 /nfs/dbraw/zinc/66/73/29/846667329.db2.gz WUOAUFIVEFCKLD-UHFFFAOYSA-N 0 1 421.419 4.270 20 5 HIBDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000024550450 846836686 /nfs/dbraw/zinc/83/66/86/846836686.db2.gz JKCAHIJVPJIDMA-UHFFFAOYSA-N 0 1 410.518 4.205 20 5 HIBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000025461640 846981735 /nfs/dbraw/zinc/98/17/35/846981735.db2.gz NFKPTHSGIHWVGG-MRXNPFEDSA-N 0 1 413.543 4.029 20 5 HIBDMN COc1ccc(NC(=O)CCN(C)Cc2cccc(Cl)c2Cl)c([N+](=O)[O-])c1 ZINC000026224852 847106308 /nfs/dbraw/zinc/10/63/08/847106308.db2.gz FQMHYSHAKDMCDE-UHFFFAOYSA-N 0 1 412.273 4.371 20 5 HIBDMN Cc1c(NC(=O)[C@@H](C)Sc2nc(CCC3CCCC3)n[nH]2)cccc1[N+](=O)[O-] ZINC000028778977 847459108 /nfs/dbraw/zinc/45/91/08/847459108.db2.gz MGZGYOBEMVJFRS-CYBMUJFWSA-N 0 1 403.508 4.263 20 5 HIBDMN Cc1c(NC(=O)[C@@H](C)Sc2n[nH]c(CCC3CCCC3)n2)cccc1[N+](=O)[O-] ZINC000028778977 847459111 /nfs/dbraw/zinc/45/91/11/847459111.db2.gz MGZGYOBEMVJFRS-CYBMUJFWSA-N 0 1 403.508 4.263 20 5 HIBDMN O=[N+]([O-])c1ccc(-c2nnc(CSc3nc(-c4ccc(Cl)cc4)n[nH]3)o2)cc1 ZINC000028807281 847463749 /nfs/dbraw/zinc/46/37/49/847463749.db2.gz ZBAKPLVHSYJBOW-UHFFFAOYSA-N 0 1 414.834 4.376 20 5 HIBDMN O=C(CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1cc(Cl)ccc1Cl ZINC000028844240 847468446 /nfs/dbraw/zinc/46/84/46/847468446.db2.gz NZHVMLFAUIJYLY-UHFFFAOYSA-N 0 1 423.300 4.052 20 5 HIBDMN C[N@@H+](Cc1ccccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000029384586 847556319 /nfs/dbraw/zinc/55/63/19/847556319.db2.gz JSIQUKZTUOQAAU-UHFFFAOYSA-N 0 1 403.504 4.160 20 5 HIBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000030331520 847703313 /nfs/dbraw/zinc/70/33/13/847703313.db2.gz YVKWFCIZKWYOTK-UHFFFAOYSA-N 0 1 417.531 4.469 20 5 HIBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccccc1C[N@H+](C)C1CCCCC1 ZINC000030331520 847703316 /nfs/dbraw/zinc/70/33/16/847703316.db2.gz YVKWFCIZKWYOTK-UHFFFAOYSA-N 0 1 417.531 4.469 20 5 HIBDMN COc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Br ZINC000030509841 847724697 /nfs/dbraw/zinc/72/46/97/847724697.db2.gz ATOKTWQHGDPDBW-VXGBXAGGSA-N 0 1 422.279 4.044 20 5 HIBDMN Cc1c(NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)cccc1[N+](=O)[O-] ZINC000032203239 847992029 /nfs/dbraw/zinc/99/20/29/847992029.db2.gz ITKDVRGYTNEJRH-UHFFFAOYSA-N 0 1 401.220 4.308 20 5 HIBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000032587404 848049703 /nfs/dbraw/zinc/04/97/03/848049703.db2.gz ONXPXLKZUJDXLQ-UHFFFAOYSA-N 0 1 414.468 4.080 20 5 HIBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000032589798 848051395 /nfs/dbraw/zinc/05/13/95/848051395.db2.gz KHYPAJVMKMBDSF-UHFFFAOYSA-N 0 1 417.468 4.018 20 5 HIBDMN CCC(=O)c1ccc(O)c(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1 ZINC000436651192 861881795 /nfs/dbraw/zinc/88/17/95/861881795.db2.gz DMXOIRNCLUAASI-UHFFFAOYSA-N 0 1 411.458 4.382 20 5 HIBDMN CCC(=O)c1ccc(O)c(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1 ZINC000436653449 861883192 /nfs/dbraw/zinc/88/31/92/861883192.db2.gz VDAGPKKOBXOWBJ-UHFFFAOYSA-N 0 1 407.220 4.216 20 5 HIBDMN CC(=O)c1ccc(O)c(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1 ZINC000436680797 861892338 /nfs/dbraw/zinc/89/23/38/861892338.db2.gz PGCLVTSWDNJNDI-UHFFFAOYSA-N 0 1 405.410 4.367 20 5 HIBDMN CCOc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OCC ZINC000043301758 848406700 /nfs/dbraw/zinc/40/67/00/848406700.db2.gz ZABTUUIMARDGDA-CABCVRRESA-N 0 1 401.463 4.070 20 5 HIBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000045280023 848658397 /nfs/dbraw/zinc/65/83/97/848658397.db2.gz PBYVOXIRTFMHTC-GFCCVEGCSA-N 0 1 407.455 4.101 20 5 HIBDMN CC(C)c1ccc(CNCc2cc3c(c(Br)c2)OCO3)cc1[N+](=O)[O-] ZINC000063578862 851718048 /nfs/dbraw/zinc/71/80/48/851718048.db2.gz PDWSPARLNWVCEE-UHFFFAOYSA-N 0 1 407.264 4.499 20 5 HIBDMN COc1ccccc1[C@@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCCCC1 ZINC000065496410 852158399 /nfs/dbraw/zinc/15/83/99/852158399.db2.gz VTWGSDJSMJYQRV-HXUWFJFHSA-N 0 1 422.485 4.042 20 5 HIBDMN CCOc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000069476437 852396787 /nfs/dbraw/zinc/39/67/87/852396787.db2.gz XEERVKABEVQGML-SFHVURJKSA-N 0 1 417.531 4.258 20 5 HIBDMN COc1cc([C@H](C)NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)ccc1OC1CCCC1 ZINC000071960647 852447282 /nfs/dbraw/zinc/44/72/82/852447282.db2.gz AMSCOZXIGHRMPQ-ZDUSSCGKSA-N 0 1 424.457 4.292 20 5 HIBDMN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1 ZINC000108043194 852819100 /nfs/dbraw/zinc/81/91/00/852819100.db2.gz HVCKTQJRWRSVFR-UHFFFAOYSA-N 0 1 406.373 4.295 20 5 HIBDMN COc1ccc(C(=O)Nc2ccccc2-c2nc(-c3ccccc3)n[nH]2)cc1[N+](=O)[O-] ZINC000108725579 852875608 /nfs/dbraw/zinc/87/56/08/852875608.db2.gz WOYYVSDAZMCHCN-UHFFFAOYSA-N 0 1 415.409 4.308 20 5 HIBDMN Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)N2CCCC2)o1 ZINC000437225491 862422040 /nfs/dbraw/zinc/42/20/40/862422040.db2.gz COINZFBYTZVZCN-INIZCTEOSA-N 0 1 411.380 4.082 20 5 HIBDMN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](NC[C@@H]1CCCCO1)c1ccccc1 ZINC000141352672 853469036 /nfs/dbraw/zinc/46/90/36/853469036.db2.gz LQWYNULSFFNNOL-LPHOPBHVSA-N 0 1 403.866 4.087 20 5 HIBDMN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000216264649 853848706 /nfs/dbraw/zinc/84/87/06/853848706.db2.gz RSKREYYZJWZMRR-HZPDHXFCSA-N 0 1 405.520 4.037 20 5 HIBDMN CCOc1ccc(Oc2cc(CNCc3ccc(OC)c([N+](=O)[O-])c3)ccn2)cc1 ZINC000237102108 853965627 /nfs/dbraw/zinc/96/56/27/853965627.db2.gz YCWXQLMIBMCJAP-UHFFFAOYSA-N 0 1 409.442 4.479 20 5 HIBDMN CNC(=O)c1ccc(CNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 ZINC000237223431 853985298 /nfs/dbraw/zinc/98/52/98/853985298.db2.gz SBYQUOOKFRIZKO-UHFFFAOYSA-N 0 1 409.417 4.176 20 5 HIBDMN COc1ccc(CNCc2cccc(C(=O)NCc3ccc(C)cc3)c2)cc1[N+](=O)[O-] ZINC000237254592 853992155 /nfs/dbraw/zinc/99/21/55/853992155.db2.gz NDSDSMITEKZKLO-UHFFFAOYSA-N 0 1 419.481 4.132 20 5 HIBDMN COc1ccc(CN[C@@H](C)c2ccc(OCc3ccncc3)c(OC)c2)cc1[N+](=O)[O-] ZINC000237290420 853998999 /nfs/dbraw/zinc/99/89/99/853998999.db2.gz FMTMHMUTRNKDAA-INIZCTEOSA-N 0 1 423.469 4.437 20 5 HIBDMN COc1ccc(-c2ccc(CNCc3ccccc3Cn3cccn3)o2)c([N+](=O)[O-])c1 ZINC000237418179 854028935 /nfs/dbraw/zinc/02/89/35/854028935.db2.gz OTXKNFOCYDUSTQ-UHFFFAOYSA-N 0 1 418.453 4.398 20 5 HIBDMN C[C@H]1CN([C@@H](CNCc2csc([N+](=O)[O-])c2)c2c(F)cccc2Cl)CCO1 ZINC000237650074 854068089 /nfs/dbraw/zinc/06/80/89/854068089.db2.gz QDYLFQHUJRXUJR-LRDDRELGSA-N 0 1 413.902 4.000 20 5 HIBDMN C[C@@H](NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C(=O)N1CCCC[C@H]1C ZINC000237655831 854068861 /nfs/dbraw/zinc/06/88/61/854068861.db2.gz DJNHLNIBWQBAJC-HZPDHXFCSA-N 0 1 415.465 4.405 20 5 HIBDMN NC(=O)c1cccc(CNCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)c1 ZINC000237767306 854092673 /nfs/dbraw/zinc/09/26/73/854092673.db2.gz PKRJNXSKEQNUPH-UHFFFAOYSA-N 0 1 411.845 4.429 20 5 HIBDMN O=[N+]([O-])c1ccc(-c2ccc(CNCc3ccccc3CO)o2)c(Br)c1 ZINC000237980190 854128527 /nfs/dbraw/zinc/12/85/27/854128527.db2.gz GPDMZQXADMCXDQ-UHFFFAOYSA-N 0 1 417.259 4.399 20 5 HIBDMN CN1CCN(C[C@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)c2ccccc2)CC1 ZINC000301861910 854478354 /nfs/dbraw/zinc/47/83/54/854478354.db2.gz LCSYVZDFEVJKOX-NRFANRHFSA-N 0 1 417.513 4.057 20 5 HIBDMN CCCc1[nH]nc(C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)c1[N+](=O)[O-] ZINC000303724651 855152490 /nfs/dbraw/zinc/15/24/90/855152490.db2.gz BUHDDPPCFTXTOS-UHFFFAOYSA-N 0 1 422.420 4.129 20 5 HIBDMN O=[N+]([O-])c1ccn(C2CCN(CC3=Cc4cc(Cl)cc(Cl)c4OC3)CC2)n1 ZINC000425979543 856028493 /nfs/dbraw/zinc/02/84/93/856028493.db2.gz KYCMGEZKACBDCI-UHFFFAOYSA-N 0 1 409.273 4.211 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCC[C@H]1c1ccc(F)cc1F ZINC000432029178 858938362 /nfs/dbraw/zinc/93/83/62/858938362.db2.gz BEKYTKUPOPOOLJ-IBGZPJMESA-N 0 1 419.428 4.437 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCC[C@@H]1c1ccc(F)cc1F ZINC000432029179 858938838 /nfs/dbraw/zinc/93/88/38/858938838.db2.gz BEKYTKUPOPOOLJ-LJQANCHMSA-N 0 1 419.428 4.437 20 5 HIBDMN Cc1ccc(-c2cncc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)n[nH]3)c2)cc1 ZINC000467544743 881365815 /nfs/dbraw/zinc/36/58/15/881365815.db2.gz XQIFQJDOBJLZQG-UHFFFAOYSA-N 0 1 400.398 4.003 20 5 HIBDMN CC1(C)C[C@H](NCc2ccc(S(C)(=O)=O)c(Cl)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433080796 859514488 /nfs/dbraw/zinc/51/44/88/859514488.db2.gz DUNPGRPVUYQZAW-KRWDZBQOSA-N 0 1 408.907 4.164 20 5 HIBDMN CC(C)CCSc1ccc(C(=O)Nc2nc(-c3ccncc3)n[nH]2)cc1[N+](=O)[O-] ZINC000433088763 859518393 /nfs/dbraw/zinc/51/83/93/859518393.db2.gz MYUJEGKLXRSIKR-UHFFFAOYSA-N 0 1 412.475 4.165 20 5 HIBDMN CC1(C)C[C@@H](N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433164114 859547887 /nfs/dbraw/zinc/54/78/87/859547887.db2.gz QNHSGUKDOYRHQV-FCHUYYIVSA-N 0 1 407.514 4.141 20 5 HIBDMN CC(=O)Nc1ccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cn1 ZINC000433202661 859564915 /nfs/dbraw/zinc/56/49/15/859564915.db2.gz SILNXTYNBDMZDA-UHFFFAOYSA-N 0 1 400.822 4.151 20 5 HIBDMN COC[C@@H](NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000433210017 859568655 /nfs/dbraw/zinc/56/86/55/859568655.db2.gz ZQMIFUHFDHKIJU-VQIMIIECSA-N 0 1 406.866 4.324 20 5 HIBDMN Cc1ccc(S(=O)(=O)C[C@@H](C)N[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000433239771 859585258 /nfs/dbraw/zinc/58/52/58/859585258.db2.gz LVYBVFRWHIJZRC-FOIQADDNSA-N 0 1 402.516 4.078 20 5 HIBDMN CC[C@H](CS(=O)(=O)c1ccccc1)N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433297984 859623618 /nfs/dbraw/zinc/62/36/18/859623618.db2.gz MYRDXSXJWIVCGO-FOIQADDNSA-N 0 1 402.516 4.159 20 5 HIBDMN CCN(CC)[C@@H](CNC(=O)c1cccc(OC)c1[N+](=O)[O-])c1ccccc1Cl ZINC000435649067 860932796 /nfs/dbraw/zinc/93/27/96/860932796.db2.gz XXWOEFCVFOIGNA-KRWDZBQOSA-N 0 1 405.882 4.070 20 5 HIBDMN CCc1ccc([C@@H](CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)N(C)C)cc1 ZINC000435836147 861098851 /nfs/dbraw/zinc/09/88/51/861098851.db2.gz OXWZONYTOLPZOC-XMMPIXPASA-N 0 1 413.521 4.276 20 5 HIBDMN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](N[C@@H]1C[C@H]2OCCC[C@H]12)c1ccccc1 ZINC000438837117 864330559 /nfs/dbraw/zinc/33/05/59/864330559.db2.gz IDTJLIZNSYSGOZ-HUYLIWGRSA-N 0 1 415.877 4.085 20 5 HIBDMN CC[C@@H](CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000439137228 864569730 /nfs/dbraw/zinc/56/97/30/864569730.db2.gz RVPNDTYOOVBTPB-SFHVURJKSA-N 0 1 401.894 4.123 20 5 HIBDMN CO[C@@H]1C[C@@H](N[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1(C)C ZINC000439510078 864857380 /nfs/dbraw/zinc/85/73/80/864857380.db2.gz FWIDPTQBEAELLW-GUDVDZBRSA-N 0 1 417.893 4.331 20 5 HIBDMN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000441295571 866369567 /nfs/dbraw/zinc/36/95/67/866369567.db2.gz KQKJDMRWQXMKIQ-MZKRTTBSSA-N 0 1 423.513 4.332 20 5 HIBDMN NC(=O)c1ccc(CN2CCC(Sc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000441392618 866465042 /nfs/dbraw/zinc/46/50/42/866465042.db2.gz DLVSMFWCEWOVAA-UHFFFAOYSA-N 0 1 405.907 4.104 20 5 HIBDMN CC(C)c1nc([C@@H](C)NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000442636372 867579489 /nfs/dbraw/zinc/57/94/89/867579489.db2.gz IAKNPMPUVDZICR-CYBMUJFWSA-N 0 1 411.487 4.479 20 5 HIBDMN C[C@H]1C[C@@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CN1Cc1ccccc1 ZINC000444222764 868674847 /nfs/dbraw/zinc/67/48/47/868674847.db2.gz GKTBDKFBHCWMPW-FXAWDEMLSA-N 0 1 411.505 4.074 20 5 HIBDMN O=C(NC[C@H]1CCCN1Cc1ccccc1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445004415 869158761 /nfs/dbraw/zinc/15/87/61/869158761.db2.gz GUOWPXLUCYPMFZ-LJQANCHMSA-N 0 1 411.505 4.076 20 5 HIBDMN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000445666784 869734544 /nfs/dbraw/zinc/73/45/44/869734544.db2.gz PPRIJWFILKECLU-HSZRJFAPSA-N 0 1 400.438 4.310 20 5 HIBDMN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000445765182 869809889 /nfs/dbraw/zinc/80/98/89/869809889.db2.gz HGWNMJVHJFCYRV-UHFFFAOYSA-N 0 1 403.482 4.025 20 5 HIBDMN CC(C)[C@@H](CC(F)(F)F)NCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000445894943 869876509 /nfs/dbraw/zinc/87/65/09/869876509.db2.gz RQFDIIBNNJUNEB-CYBMUJFWSA-N 0 1 416.425 4.223 20 5 HIBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000446483944 870396983 /nfs/dbraw/zinc/39/69/83/870396983.db2.gz GAQPNKNPHGGZCO-INIZCTEOSA-N 0 1 412.494 4.481 20 5 HIBDMN COc1ccc([C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2C)N2CCCCC2)cc1 ZINC000446499076 870416548 /nfs/dbraw/zinc/41/65/48/870416548.db2.gz OHPSDVIGTZGDDF-OAQYLSRUSA-N 0 1 412.490 4.261 20 5 HIBDMN COc1cc(CNCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(-c2ccccc2)cc1OC ZINC000446843084 870761539 /nfs/dbraw/zinc/76/15/39/870761539.db2.gz JNBVPPYCIRPHLW-UHFFFAOYSA-N 0 1 418.453 4.445 20 5 HIBDMN O=[N+]([O-])c1cc(CNC2(c3cccc(OC(F)(F)F)c3)CCOCC2)cs1 ZINC000446855180 870776893 /nfs/dbraw/zinc/77/68/93/870776893.db2.gz HJEXNINTMUHKDX-UHFFFAOYSA-N 0 1 402.394 4.350 20 5 HIBDMN CSCCc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 ZINC000446988188 870879721 /nfs/dbraw/zinc/87/97/21/870879721.db2.gz FLQRWQVDJOTYIY-UHFFFAOYSA-N 0 1 420.434 4.320 20 5 HIBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(Oc2cccc(F)c2F)nc1 ZINC000447261810 871141546 /nfs/dbraw/zinc/14/15/46/871141546.db2.gz AWPWCFYADUDDBD-UHFFFAOYSA-N 0 1 421.381 4.170 20 5 HIBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(Oc2cccc(F)c2F)nc1 ZINC000447264346 871143951 /nfs/dbraw/zinc/14/39/51/871143951.db2.gz LQOSEAWUIKQJKQ-UHFFFAOYSA-N 0 1 421.381 4.170 20 5 HIBDMN Cc1ccc([C@@H](C)NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000447554199 871436563 /nfs/dbraw/zinc/43/65/63/871436563.db2.gz UQLZUYFDJWELNT-GFCCVEGCSA-N 0 1 416.421 4.176 20 5 HIBDMN O=C1[C@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCN1Cc1ccc(F)cc1F ZINC000447599974 871507891 /nfs/dbraw/zinc/50/78/91/871507891.db2.gz LEPJLBCDFCTNIO-NHCUHLMSSA-N 0 1 415.440 4.031 20 5 HIBDMN Cc1c(Br)cc(-c2nc(-c3ccn4cncc4c3)no2)cc1[N+](=O)[O-] ZINC000447957767 871823879 /nfs/dbraw/zinc/82/38/79/871823879.db2.gz BAZVDKQDJAONMK-UHFFFAOYSA-N 0 1 400.192 4.030 20 5 HIBDMN C[C@H](c1ccc(F)cc1F)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000460363327 872996854 /nfs/dbraw/zinc/99/68/54/872996854.db2.gz NTIPPEOAQFHYAY-CYBMUJFWSA-N 0 1 401.417 4.023 20 5 HIBDMN C[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000462138453 875238043 /nfs/dbraw/zinc/23/80/43/875238043.db2.gz LXFITQVEOGHIQN-ZETCQYMHSA-N 0 1 411.213 4.219 20 5 HIBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1CCCOc2ccccc21 ZINC000462265019 875391127 /nfs/dbraw/zinc/39/11/27/875391127.db2.gz FDMBOCFJOQHCTR-CYBMUJFWSA-N 0 1 417.270 4.094 20 5 HIBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1CSc2ccccc21 ZINC000462330422 875448047 /nfs/dbraw/zinc/44/80/47/875448047.db2.gz FTDJZALKGYLHAS-LLVKDONJSA-N 0 1 405.284 4.027 20 5 HIBDMN C[C@@H](c1ccsc1)N1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000462457402 875564281 /nfs/dbraw/zinc/56/42/81/875564281.db2.gz ZLNDFMVYYOYJNC-INIZCTEOSA-N 0 1 412.515 4.233 20 5 HIBDMN O=C1C[C@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CN1[C@@H]1C[C@H]1c1ccccc1 ZINC000462755171 875819929 /nfs/dbraw/zinc/81/99/29/875819929.db2.gz LBNYPWAXJLZXOY-RBDMOPTHSA-N 0 1 417.465 4.101 20 5 HIBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000462778220 875834784 /nfs/dbraw/zinc/83/47/84/875834784.db2.gz KJBLKQBSUCVJRG-FXAWDEMLSA-N 0 1 419.485 4.312 20 5 HIBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000462778220 875834793 /nfs/dbraw/zinc/83/47/93/875834793.db2.gz KJBLKQBSUCVJRG-FXAWDEMLSA-N 0 1 419.485 4.312 20 5 HIBDMN CN(C)[C@H]1CCOc2c(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)cccc21 ZINC000468949246 883015596 /nfs/dbraw/zinc/01/55/96/883015596.db2.gz HZNOHQOPTZZQRE-SFHVURJKSA-N 0 1 401.438 4.035 20 5 HIBDMN Cc1nn(C(C)(C)C)cc1[C@@H](C)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000464609181 877836231 /nfs/dbraw/zinc/83/62/31/877836231.db2.gz OZPPGEDEGCNKLT-YPMHNXCESA-N 0 1 407.902 4.186 20 5 HIBDMN COC[C@@H]1CCCCN([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000467320743 881067393 /nfs/dbraw/zinc/06/73/93/881067393.db2.gz DMKJMJWEVUJPAR-XMSQKQJNSA-N 0 1 411.502 4.332 20 5 HIBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000469204727 883304963 /nfs/dbraw/zinc/30/49/63/883304963.db2.gz UDDXGCRMMHLINS-INIZCTEOSA-N 0 1 409.211 4.179 20 5 HIBDMN CN(C)[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000469764119 883934378 /nfs/dbraw/zinc/93/43/78/883934378.db2.gz LGHZPYTWYCUXEC-GOSISDBHSA-N 0 1 423.435 4.310 20 5 HIBDMN C[C@@H](NC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000470042617 884283669 /nfs/dbraw/zinc/28/36/69/884283669.db2.gz FQXJZNNATRLOBM-FZKQIMNGSA-N 0 1 424.423 4.277 20 5 HIBDMN CN1CC[C@@H](CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000470127521 884390115 /nfs/dbraw/zinc/39/01/15/884390115.db2.gz COPCRSKSARJWRI-SGTLLEGYSA-N 0 1 424.835 4.341 20 5 HIBDMN CN(C)[C@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000470597686 885021828 /nfs/dbraw/zinc/02/18/28/885021828.db2.gz BSIKMHNNHIAXBG-OAHLLOKOSA-N 0 1 415.799 4.300 20 5 HIBDMN Cc1nc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)oc1-c1ccc(Cl)cc1 ZINC000473582100 888324010 /nfs/dbraw/zinc/32/40/10/888324010.db2.gz HSPDTYRMIABILH-UHFFFAOYSA-N 0 1 411.805 4.018 20 5 HIBDMN COc1ccc(-c2n[nH]c(Sc3nc(C)ccc3[N+](=O)[O-])n2)cc1Br ZINC000473726106 888503101 /nfs/dbraw/zinc/50/31/01/888503101.db2.gz XGQJURCIACIABJ-UHFFFAOYSA-N 0 1 422.264 4.006 20 5 HIBDMN COc1ccc(-c2cc3[nH]c(Cc4ccc([N+](=O)[O-])c(C)c4)nc(=O)c3s2)cc1 ZINC000474669205 889534363 /nfs/dbraw/zinc/53/43/63/889534363.db2.gz PZJQSEPCGQLQOJ-UHFFFAOYSA-N 0 1 407.451 4.468 20 5 HIBDMN O=[N+]([O-])c1cc(CNCc2ccc(Cl)cc2-n2cncn2)cc(C(F)(F)F)c1 ZINC000475230872 890101723 /nfs/dbraw/zinc/10/17/23/890101723.db2.gz GZAKKQNCZKSVOS-UHFFFAOYSA-N 0 1 411.771 4.138 20 5 HIBDMN Cc1ccc([C@@H](N[C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccn2)cc1 ZINC000475334890 890255573 /nfs/dbraw/zinc/25/55/73/890255573.db2.gz FLHHZLRDVDRLRN-UZUQRXQVSA-N 0 1 404.470 4.395 20 5 HIBDMN Cc1ccc([C@@H](N[C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccn2)cc1 ZINC000475338971 890260757 /nfs/dbraw/zinc/26/07/57/890260757.db2.gz PHOHXQQMVHIBSJ-GAJHUEQPSA-N 0 1 404.470 4.395 20 5 HIBDMN CCCc1[nH]nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000475558196 890486756 /nfs/dbraw/zinc/48/67/56/890486756.db2.gz DMQNMJZZDNOBJX-UHFFFAOYSA-N 0 1 410.396 4.309 20 5 HIBDMN CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1Cl ZINC000475889528 890823205 /nfs/dbraw/zinc/82/32/05/890823205.db2.gz SMNSBTZGWHYHSD-UHFFFAOYSA-N 0 1 405.838 4.125 20 5 HIBDMN Cc1cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000476092550 891014668 /nfs/dbraw/zinc/01/46/68/891014668.db2.gz SSOJRSOUBSNVSZ-UHFFFAOYSA-N 0 1 406.320 4.066 20 5 HIBDMN O=C(CNC1(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000477459074 892421548 /nfs/dbraw/zinc/42/15/48/892421548.db2.gz MROLUNWLYGSTMV-UHFFFAOYSA-N 0 1 413.783 4.484 20 5 HIBDMN Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2NCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000477723507 892827341 /nfs/dbraw/zinc/82/73/41/892827341.db2.gz JUEZMKUXEPGYGD-FPOVZHCZSA-N 0 1 402.516 4.086 20 5 HIBDMN O=[N+]([O-])c1cc(Cl)ccc1CCNCc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000478240216 893404207 /nfs/dbraw/zinc/40/42/07/893404207.db2.gz ZXJOBQJMGGODDR-UHFFFAOYSA-N 0 1 417.874 4.433 20 5 HIBDMN CC[C@H](Cc1ccccc1Br)N(C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000479776501 895077864 /nfs/dbraw/zinc/07/78/64/895077864.db2.gz HQKPHWCDIJEVOU-CYBMUJFWSA-N 0 1 423.311 4.297 20 5 HIBDMN COc1ccc(C(=O)Nc2cccc(CNCc3cccc([N+](=O)[O-])c3C)c2)cc1 ZINC000480453679 895841337 /nfs/dbraw/zinc/84/13/37/895841337.db2.gz FGAITFVYNQJFHD-UHFFFAOYSA-N 0 1 405.454 4.454 20 5 HIBDMN CCOc1cc(CNCc2cccc([N+](=O)[O-])c2C)cc(Br)c1OC ZINC000480493749 895866489 /nfs/dbraw/zinc/86/64/89/895866489.db2.gz DLNAVRJXKYWMKF-UHFFFAOYSA-N 0 1 409.280 4.363 20 5 HIBDMN C[C@H](c1cc(F)ccc1F)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000481182771 896524492 /nfs/dbraw/zinc/52/44/92/896524492.db2.gz QCYGSEMQWHWFLO-CYBMUJFWSA-N 0 1 401.417 4.023 20 5 HIBDMN Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)C[C@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000481516989 896884461 /nfs/dbraw/zinc/88/44/61/896884461.db2.gz OIXQVUGXDRCVCY-QIJUGHKUSA-N 0 1 411.502 4.066 20 5 HIBDMN Cc1nc(-c2ccc([C@@H](C)NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)cc2)cs1 ZINC000481638728 897023132 /nfs/dbraw/zinc/02/31/32/897023132.db2.gz IWBQXLFMICTHAW-LLVKDONJSA-N 0 1 407.455 4.394 20 5 HIBDMN CNC(=O)C[C@H](NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000481813126 897188007 /nfs/dbraw/zinc/18/80/07/897188007.db2.gz HFAHVJNNYJZBGQ-NRFANRHFSA-N 0 1 418.497 4.330 20 5 HIBDMN CCC[C@@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(=O)N1CCc2sccc2C1 ZINC000482250179 897731249 /nfs/dbraw/zinc/73/12/49/897731249.db2.gz XZDLVUQZQHEREF-MAUKXSAKSA-N 0 1 401.532 4.369 20 5 HIBDMN C[C@@H]1CCCCN1CC(=O)Nc1ccc(F)c(NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000482669210 898270840 /nfs/dbraw/zinc/27/08/40/898270840.db2.gz YVLAALNPHAGEAG-OAHLLOKOSA-N 0 1 400.454 4.159 20 5 HIBDMN 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C[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(OCc2cccnc2)cc1 ZINC000538124645 938510920 /nfs/dbraw/zinc/51/09/20/938510920.db2.gz HIHQZERUBMGDTP-SJORKVTESA-N 0 1 420.469 4.247 20 5 HIBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)c1ccc(SC(C)C)cc1 ZINC000538204663 938553599 /nfs/dbraw/zinc/55/35/99/938553599.db2.gz JNGACDMQHZPQJR-CQSZACIVSA-N 0 1 403.504 4.393 20 5 HIBDMN Cc1ccc([C@@H](C)NCC(=O)N[C@H](C)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000538277579 938581758 /nfs/dbraw/zinc/58/17/58/938581758.db2.gz VCWDTYWGXWDNGZ-ZIAGYGMSSA-N 0 1 420.307 4.194 20 5 HIBDMN O=[N+]([O-])c1ccc(-c2ccc(CNCc3ccc(OCCO)cc3)o2)c(Cl)c1 ZINC000538409701 938613743 /nfs/dbraw/zinc/61/37/43/938613743.db2.gz VFRFPFIKTDJUQI-UHFFFAOYSA-N 0 1 402.834 4.169 20 5 HIBDMN CCC[C@H](NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000539019651 938770793 /nfs/dbraw/zinc/77/07/93/938770793.db2.gz MCYDRZKYGXGVHR-NRFANRHFSA-N 0 1 417.531 4.010 20 5 HIBDMN CCOc1ccc(NC(=O)CN[C@H](C)c2cccc(OC(C)C)c2)c([N+](=O)[O-])c1 ZINC000539225820 938821441 /nfs/dbraw/zinc/82/14/41/938821441.db2.gz FYXMXUFGBJJJSK-OAHLLOKOSA-N 0 1 401.463 4.070 20 5 HIBDMN C[C@@H](NCC(=O)N[C@@H](Cc1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000539274376 938831560 /nfs/dbraw/zinc/83/15/60/938831560.db2.gz MKBOTWXXJRGUQL-JPYJTQIMSA-N 0 1 403.482 4.346 20 5 HIBDMN COc1ccc(NC(=O)CN[C@@H](C)c2ccc(SC(C)C)cc2)c([N+](=O)[O-])c1 ZINC000539301391 938837071 /nfs/dbraw/zinc/83/70/71/938837071.db2.gz GROWSVGSBNYLRX-AWEZNQCLSA-N 0 1 403.504 4.393 20 5 HIBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000539328607 938842639 /nfs/dbraw/zinc/84/26/39/938842639.db2.gz YAHGZONVESBQOJ-CQSZACIVSA-N 0 1 401.438 4.120 20 5 HIBDMN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000539744205 938919028 /nfs/dbraw/zinc/91/90/28/938919028.db2.gz GFMMOEWESDHQBF-AWEZNQCLSA-N 0 1 417.897 4.434 20 5 HIBDMN Cc1cc(C(=O)NC2CCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)c(C)o1 ZINC000539840317 938954455 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ADCSPCDEHBESDF-HKBOAZHASA-N 0 1 420.469 4.455 20 5 HIBDMN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCc2cc(F)c(F)cc2Br)n1 ZINC000552096030 941584076 /nfs/dbraw/zinc/58/40/76/941584076.db2.gz NUYOSOWJFFMAJQ-LSDHHAIUSA-N 0 1 415.238 4.106 20 5 HIBDMN O=C(Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000553787148 941969161 /nfs/dbraw/zinc/96/91/61/941969161.db2.gz ZVFQQRPCONAHRI-UHFFFAOYSA-N 0 1 403.373 4.438 20 5 HIBDMN O=[N+]([O-])c1ccc(O)cc1CN[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000555422695 942525505 /nfs/dbraw/zinc/52/55/05/942525505.db2.gz AXVVUMBUSONCHG-HXUWFJFHSA-N 0 1 406.417 4.320 20 5 HIBDMN CN(CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1CCC(F)(F)CC1 ZINC000558173961 943408855 /nfs/dbraw/zinc/40/88/55/943408855.db2.gz CCQPETCKUXIXKR-UHFFFAOYSA-N 0 1 410.446 4.167 20 5 HIBDMN CCN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)Cc1ccc(OC)cc1 ZINC000561403510 944581129 /nfs/dbraw/zinc/58/11/29/944581129.db2.gz GFIJVGMMHACVPF-CQSZACIVSA-N 0 1 405.882 4.148 20 5 HIBDMN 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ZINC001164994847 722197340 /nfs/dbraw/zinc/19/73/40/722197340.db2.gz QFCCOLIOZBRWIN-HXUWFJFHSA-N 0 1 404.873 4.336 20 5 HIBDMN CCOc1ccc(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000009484502 845572387 /nfs/dbraw/zinc/57/23/87/845572387.db2.gz ZYQMEBIBHRNEEK-UHFFFAOYSA-N 0 1 406.851 4.254 20 5 HIBDMN Cc1ccc([C@@H](CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)N(C)C)cc1 ZINC000436320395 861624352 /nfs/dbraw/zinc/62/43/52/861624352.db2.gz VSUIUAVYDVOKDF-OAQYLSRUSA-N 0 1 417.484 4.162 20 5 HIBDMN CCN1CCN(c2ccc(Cl)cc2NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000023139373 846664278 /nfs/dbraw/zinc/66/42/78/846664278.db2.gz VCRNTMNVTWXMDC-BJMVGYQFSA-N 0 1 414.893 4.042 20 5 HIBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000027969009 847369480 /nfs/dbraw/zinc/36/94/80/847369480.db2.gz HBRMYVMSFVLLCE-UHFFFAOYSA-N 0 1 417.531 4.469 20 5 HIBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1C[N@H+](C)C1CCCCC1 ZINC000027969009 847369488 /nfs/dbraw/zinc/36/94/88/847369488.db2.gz HBRMYVMSFVLLCE-UHFFFAOYSA-N 0 1 417.531 4.469 20 5 HIBDMN CC[C@@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000029909777 847648398 /nfs/dbraw/zinc/64/83/98/847648398.db2.gz NAXHKGRLIPXNMR-LPHOPBHVSA-N 0 1 413.543 4.029 20 5 HIBDMN Cc1csc(Oc2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2F)n1 ZINC000436474627 861817972 /nfs/dbraw/zinc/81/79/72/861817972.db2.gz FAVOPIRUKPCGLJ-UHFFFAOYSA-N 0 1 409.420 4.092 20 5 HIBDMN COc1cc([C@@H](C)N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OC(C)C ZINC000030492462 847721364 /nfs/dbraw/zinc/72/13/64/847721364.db2.gz UGERBDHCFHUCOQ-CABCVRRESA-N 0 1 401.463 4.068 20 5 HIBDMN C[C@@H](NCc1cccc(COCc2ccco2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000030511162 847724690 /nfs/dbraw/zinc/72/46/90/847724690.db2.gz ZMKNCMSVEFOTEK-MRXNPFEDSA-N 0 1 409.442 4.021 20 5 HIBDMN CCOc1cc(C(=O)Nc2ccc3nc(C(C)(C)C)[nH]c3c2)c([N+](=O)[O-])cc1OC ZINC000032465759 848033060 /nfs/dbraw/zinc/03/30/60/848033060.db2.gz OKQCJPWMVBBMMJ-UHFFFAOYSA-N 0 1 412.446 4.428 20 5 HIBDMN O=C(NC1CC1)c1ccc(CN(CCc2ccc([N+](=O)[O-])cc2)Cc2ccco2)cc1 ZINC000052530601 849592195 /nfs/dbraw/zinc/59/21/95/849592195.db2.gz IJJVOTZGKOHBJL-UHFFFAOYSA-N 0 1 419.481 4.325 20 5 HIBDMN COc1ccccc1[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)N1CCCCC1 ZINC000055751992 850134596 /nfs/dbraw/zinc/13/45/96/850134596.db2.gz XERSZUMZWLFTCW-LJQANCHMSA-N 0 1 417.893 4.214 20 5 HIBDMN Cc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000056196552 850279945 /nfs/dbraw/zinc/27/99/45/850279945.db2.gz SGQQLSVJCWTBGV-STQMWFEESA-N 0 1 406.280 4.344 20 5 HIBDMN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCN(CC2CCCCC2)CC1 ZINC000064947208 852027370 /nfs/dbraw/zinc/02/73/70/852027370.db2.gz HGDLLRZNLNRYBW-UHFFFAOYSA-N 0 1 414.531 4.056 20 5 HIBDMN COc1cc([C@H](C)N[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1OC(C)C ZINC000106276038 852767218 /nfs/dbraw/zinc/76/72/18/852767218.db2.gz KXPCOAFGIRWYDN-LSDHHAIUSA-N 0 1 401.463 4.068 20 5 HIBDMN CCCCc1nc2ccc(NC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)cc2[nH]1 ZINC000109003004 852907712 /nfs/dbraw/zinc/90/77/12/852907712.db2.gz MVEJNPSDHGSUGX-UHFFFAOYSA-N 0 1 404.430 4.252 20 5 HIBDMN Cc1cc(C(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc([N+](=O)[O-])c1 ZINC000195691227 853760583 /nfs/dbraw/zinc/76/05/83/853760583.db2.gz AXXMXQSNCGBDIN-UHFFFAOYSA-N 0 1 421.419 4.270 20 5 HIBDMN COc1ccccc1[C@@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)N(C)C ZINC000237217455 853984497 /nfs/dbraw/zinc/98/44/97/853984497.db2.gz CZBSLYASRDBHRI-LJQANCHMSA-N 0 1 412.515 4.119 20 5 HIBDMN O=[N+]([O-])c1cnc(N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)c(Cl)c1 ZINC000301287250 854348396 /nfs/dbraw/zinc/34/83/96/854348396.db2.gz RITIVCLSFHGOQQ-UHFFFAOYSA-N 0 1 414.815 4.374 20 5 HIBDMN COc1ccc(-c2n[nH]c(Sc3ncc([N+](=O)[O-])cc3C)n2)cc1Br ZINC000302633435 854594356 /nfs/dbraw/zinc/59/43/56/854594356.db2.gz COKVPLNKYIKQCV-UHFFFAOYSA-N 0 1 422.264 4.006 20 5 HIBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000303480491 854974828 /nfs/dbraw/zinc/97/48/28/854974828.db2.gz KEFXYTJWJVBRQR-UHFFFAOYSA-N 0 1 407.405 4.111 20 5 HIBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC(Oc4cnccn4)CC3)o2)c(Cl)c1 ZINC000425978072 856027616 /nfs/dbraw/zinc/02/76/16/856027616.db2.gz NSGYVNMGYKCCLH-UHFFFAOYSA-N 0 1 414.849 4.342 20 5 HIBDMN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000427376149 856801194 /nfs/dbraw/zinc/80/11/94/856801194.db2.gz QAJPOFLUOYZQGX-MRXNPFEDSA-N 0 1 400.822 4.110 20 5 HIBDMN COc1cc(C(=O)Nc2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)ccc1[N+](=O)[O-] ZINC000437513576 862861122 /nfs/dbraw/zinc/86/11/22/862861122.db2.gz LNRQDQJRKRDAAG-UHFFFAOYSA-N 0 1 415.409 4.308 20 5 HIBDMN COc1cc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)ccc1[N+](=O)[O-] ZINC000437513576 862861124 /nfs/dbraw/zinc/86/11/24/862861124.db2.gz LNRQDQJRKRDAAG-UHFFFAOYSA-N 0 1 415.409 4.308 20 5 HIBDMN COc1ccc(-c2ccc(CN3C[C@H](C)O[C@]4(CCO[C@H](C)C4)C3)o2)c([N+](=O)[O-])c1 ZINC000430765690 858296310 /nfs/dbraw/zinc/29/63/10/858296310.db2.gz GGEKLFBBSPZTOV-VVBPWWLESA-N 0 1 416.474 4.022 20 5 HIBDMN Cc1cc(OCC(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000430833070 858323102 /nfs/dbraw/zinc/32/31/02/858323102.db2.gz LYBDBHFYXHTBDP-GOSISDBHSA-N 0 1 414.849 4.175 20 5 HIBDMN COc1cc(S(=O)(=O)Nc2ccc(C(C)(C)C(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC000432066389 858963453 /nfs/dbraw/zinc/96/34/53/858963453.db2.gz WCPPCARYXDAXDN-UHFFFAOYSA-N 0 1 418.393 4.244 20 5 HIBDMN Cn1cc(CN2CCC(c3ncccc3Cl)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000433036733 859493384 /nfs/dbraw/zinc/49/33/84/859493384.db2.gz YNLZNCNGLSCKEE-UHFFFAOYSA-N 0 1 411.893 4.423 20 5 HIBDMN CC1(C)C[C@@H](N[C@@H](CO)c2cccc(Br)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433295527 859622200 /nfs/dbraw/zinc/62/22/00/859622200.db2.gz PQUBSXGVFZRDGG-MSOLQXFVSA-N 0 1 405.292 4.403 20 5 HIBDMN CCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@H](c1ccc(C)cc1)c1cccnc1 ZINC000433761554 859881361 /nfs/dbraw/zinc/88/13/61/859881361.db2.gz CPXZNFSDNKBIHZ-HXUWFJFHSA-N 0 1 407.474 4.396 20 5 HIBDMN COc1cccc(C(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)c1[N+](=O)[O-] ZINC000435811969 861076824 /nfs/dbraw/zinc/07/68/24/861076824.db2.gz VIVAZLTWWTUAFB-HNNXBMFYSA-N 0 1 400.822 4.110 20 5 HIBDMN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000435836783 861098729 /nfs/dbraw/zinc/09/87/29/861098729.db2.gz RTZCBCCKPFXICB-DEOSSOPVSA-N 0 1 411.505 4.248 20 5 HIBDMN CC(C)c1[nH]nc(C(=O)N2CCC(c3ccccc3Br)CC2)c1[N+](=O)[O-] ZINC000440053717 865329280 /nfs/dbraw/zinc/32/92/80/865329280.db2.gz NOHCFJJKSPXNNO-UHFFFAOYSA-N 0 1 421.295 4.224 20 5 HIBDMN CC(C)Oc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C(F)(F)F)c1 ZINC000442342604 867335624 /nfs/dbraw/zinc/33/56/24/867335624.db2.gz ALQFDZLYXDFGGH-UHFFFAOYSA-N 0 1 404.366 4.202 20 5 HIBDMN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000443462818 868052889 /nfs/dbraw/zinc/05/28/89/868052889.db2.gz ROTCMUROWXTDTL-UHFFFAOYSA-N 0 1 405.657 4.120 20 5 HIBDMN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000443890398 868428385 /nfs/dbraw/zinc/42/83/85/868428385.db2.gz AAJWQHPHLBKKPX-OAHLLOKOSA-N 0 1 421.419 4.350 20 5 HIBDMN CN1CCC(N(Cc2ccco2)C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC000444015062 868538612 /nfs/dbraw/zinc/53/86/12/868538612.db2.gz ZTNYYEQCOKRUGR-UHFFFAOYSA-N 0 1 415.493 4.011 20 5 HIBDMN C[C@H]1C[C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CN1Cc1ccccc1 ZINC000444222765 868674588 /nfs/dbraw/zinc/67/45/88/868674588.db2.gz GKTBDKFBHCWMPW-PXNSSMCTSA-N 0 1 411.505 4.074 20 5 HIBDMN CCc1[nH]nc(C(=O)N(C)[C@@H](C)c2sc(-c3ccc(C)cc3)nc2C)c1[N+](=O)[O-] ZINC000444263900 868706473 /nfs/dbraw/zinc/70/64/73/868706473.db2.gz YAFILLWAKDNCQC-ZDUSSCGKSA-N 0 1 413.503 4.454 20 5 HIBDMN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc2nc(-c3cccs3)[nH]c21 ZINC000444631104 868920312 /nfs/dbraw/zinc/92/03/12/868920312.db2.gz KADYRIJIDWQRNI-UHFFFAOYSA-N 0 1 418.438 4.006 20 5 HIBDMN CCOc1ccc(NC(=O)CN[C@@H](C)c2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000444744266 868984144 /nfs/dbraw/zinc/98/41/44/868984144.db2.gz OSFFQPFWNOHHSG-LBPRGKRZSA-N 0 1 422.279 4.045 20 5 HIBDMN O=[N+]([O-])c1ccc2[nH]c(CNCc3ccc(Br)c4cccnc34)nc2c1 ZINC000446848088 870766989 /nfs/dbraw/zinc/76/69/89/870766989.db2.gz DYVREBQOHKAWNM-UHFFFAOYSA-N 0 1 412.247 4.072 20 5 HIBDMN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Oc3ccccc3F)nc2)c1[N+](=O)[O-] ZINC000447265078 871148120 /nfs/dbraw/zinc/14/81/20/871148120.db2.gz DXJJTJCKRSVURN-UHFFFAOYSA-N 0 1 417.418 4.339 20 5 HIBDMN CN1CCO[C@H]([C@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c2ccc(Cl)cc2)C1 ZINC000447585992 871492716 /nfs/dbraw/zinc/49/27/16/871492716.db2.gz MDYHRBWYVZQMFA-BHIFYINESA-N 0 1 415.921 4.287 20 5 HIBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc2c1OCC[C@@H]2N(C)C ZINC000447721798 871665831 /nfs/dbraw/zinc/66/58/31/871665831.db2.gz HDSJZMJYNPZXEF-ACJLOTCBSA-N 0 1 401.488 4.099 20 5 HIBDMN CN(C)[C@@H]1CCOc2c(NC(=O)c3c([N+](=O)[O-])cccc3C(F)(F)F)cccc21 ZINC000447722665 871665915 /nfs/dbraw/zinc/66/59/15/871665915.db2.gz KIWKUASGWGTGLP-CQSZACIVSA-N 0 1 409.364 4.251 20 5 HIBDMN C[C@H](c1c(F)cccc1F)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000460347785 872966376 /nfs/dbraw/zinc/96/63/76/872966376.db2.gz CKWWXWJODMVNNG-CYBMUJFWSA-N 0 1 401.417 4.023 20 5 HIBDMN CCCC[C@H](C)N(C)C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000461422060 874450738 /nfs/dbraw/zinc/45/07/38/874450738.db2.gz IOUZQMVCOCKDQJ-HNNXBMFYSA-N 0 1 419.503 4.046 20 5 HIBDMN COc1ccc([C@H](C)NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1F ZINC000462479438 875585829 /nfs/dbraw/zinc/58/58/29/875585829.db2.gz HCQBWQSMWJTXAZ-QMMMGPOBSA-N 0 1 423.249 4.089 20 5 HIBDMN Cc1cccc(NC[C@H]2CCN(c3ccc([N+](=O)[O-])c(OCc4ccccc4)n3)C2)n1 ZINC000462492912 875604009 /nfs/dbraw/zinc/60/40/09/875604009.db2.gz WDEFJRIAGWGHKM-LJQANCHMSA-N 0 1 419.485 4.211 20 5 HIBDMN Cc1cc(N2CCN([C@H](C)c3ccsc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000462693637 875784868 /nfs/dbraw/zinc/78/48/68/875784868.db2.gz XIOHXWVINHUVTB-MRXNPFEDSA-N 0 1 409.515 4.305 20 5 HIBDMN CCOc1ccc([N+](=O)[O-])cc1CNCCOc1ncc(C(F)(F)F)cc1Cl ZINC000462726644 875803599 /nfs/dbraw/zinc/80/35/99/875803599.db2.gz JPZWUHJPIDKTES-UHFFFAOYSA-N 0 1 419.787 4.229 20 5 HIBDMN COc1cc(S(=O)(=O)Nc2ccc(-c3ncc(C(C)C)o3)cc2)ccc1[N+](=O)[O-] ZINC000468950558 883016881 /nfs/dbraw/zinc/01/68/81/883016881.db2.gz KXAQEJNCZGJSKZ-UHFFFAOYSA-N 0 1 417.443 4.183 20 5 HIBDMN CC[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000463420580 876475767 /nfs/dbraw/zinc/47/57/67/876475767.db2.gz ABHIZTYDEPMPNQ-KRWDZBQOSA-N 0 1 421.419 4.180 20 5 HIBDMN CC(C)CNC(=O)c1cccc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000464777525 878021033 /nfs/dbraw/zinc/02/10/33/878021033.db2.gz QTFXMIRJBDXLDP-UHFFFAOYSA-N 0 1 411.502 4.024 20 5 HIBDMN CO[C@H](CN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C(C)C ZINC000465406923 878841270 /nfs/dbraw/zinc/84/12/70/878841270.db2.gz OJJIORYHFIPJRN-RTBURBONSA-N 0 1 405.882 4.189 20 5 HIBDMN Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)CCC2CCOCC2)c([N+](=O)[O-])c1 ZINC000466479588 880261548 /nfs/dbraw/zinc/26/15/48/880261548.db2.gz YMPNSQIKTIOHOM-QFIPXVFZSA-N 0 1 411.502 4.332 20 5 HIBDMN Cc1c([C@@H](C)N[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cccc1[N+](=O)[O-] ZINC000469101056 883191337 /nfs/dbraw/zinc/19/13/37/883191337.db2.gz UEBNFZVUCLRIJF-KUHUBIRLSA-N 0 1 403.429 4.023 20 5 HIBDMN Cc1ccc(CN2CCSCC2)cc1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000503607182 912706759 /nfs/dbraw/zinc/70/67/59/912706759.db2.gz HYYABJDLITZMLH-UHFFFAOYSA-N 0 1 410.499 4.186 20 5 HIBDMN Cc1ccc([C@@H](NCCC(=O)Nc2cccc([N+](=O)[O-])c2C)c2ccccn2)cc1 ZINC000471078111 885603569 /nfs/dbraw/zinc/60/35/69/885603569.db2.gz VMBJXNOYIZLBSN-HSZRJFAPSA-N 0 1 404.470 4.314 20 5 HIBDMN COc1cccc([C@H]2[C@H](NC(=O)Nc3ccc([N+](=O)[O-])cc3C)CCN2C2CC2)c1 ZINC000471926463 886718565 /nfs/dbraw/zinc/71/85/65/886718565.db2.gz DGWHQYHCXJZXHT-RTWAWAEBSA-N 0 1 410.474 4.011 20 5 HIBDMN COC(=O)COc1ccc(CN[C@@H](c2ccccc2)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000474356672 889235609 /nfs/dbraw/zinc/23/56/09/889235609.db2.gz SCVIWMQFUCBBQX-DEOSSOPVSA-N 0 1 420.465 4.334 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H](C)c1cc2cccc(F)c2o1 ZINC000475701429 890640360 /nfs/dbraw/zinc/64/03/60/890640360.db2.gz LSAPDXJRWDOJOU-NWDGAFQWSA-N 0 1 401.394 4.167 20 5 HIBDMN CCOc1ccc([C@@H](C)NCc2cc3c(c(Br)c2)OCO3)cc1[N+](=O)[O-] ZINC000504893387 913622807 /nfs/dbraw/zinc/62/28/07/913622807.db2.gz FEKDKDFWMPHDGN-LLVKDONJSA-N 0 1 423.263 4.336 20 5 HIBDMN CCOc1ccc([C@H](C)NCc2ccc(NC(=O)c3ccncc3)cc2)cc1[N+](=O)[O-] ZINC000504905447 913637948 /nfs/dbraw/zinc/63/79/48/913637948.db2.gz IQZPZCJCJNRCAU-INIZCTEOSA-N 0 1 420.469 4.492 20 5 HIBDMN CCCc1[nH]nc(C(=O)N2CCC(c3ccc(Br)cc3)CC2)c1[N+](=O)[O-] ZINC000505151732 913845603 /nfs/dbraw/zinc/84/56/03/913845603.db2.gz SCZSIFFPLFRPTH-UHFFFAOYSA-N 0 1 421.295 4.053 20 5 HIBDMN O=C(N[C@H]1CCOc2c(-c3ccccc3)cccc21)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000505181198 913867195 /nfs/dbraw/zinc/86/71/95/913867195.db2.gz ZQPLXMXCHLILPN-IBGZPJMESA-N 0 1 414.421 4.392 20 5 HIBDMN Cc1c(Cl)cc(S(=O)(=O)Nc2ccnc(-c3ccccc3)c2)cc1[N+](=O)[O-] ZINC000479323871 894615153 /nfs/dbraw/zinc/61/51/53/894615153.db2.gz ZKVHYTISPUCTQE-UHFFFAOYSA-N 0 1 403.847 4.419 20 5 HIBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(Br)c(Cl)c1 ZINC000479366493 894666274 /nfs/dbraw/zinc/66/62/74/894666274.db2.gz UUYIWMUYHJGBGQ-UHFFFAOYSA-N 0 1 422.626 4.048 20 5 HIBDMN CC(=O)Nc1ccc(S(=O)(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c2ccccc12 ZINC000480160474 895547317 /nfs/dbraw/zinc/54/73/17/895547317.db2.gz MBPRPEVDZZSFBW-UHFFFAOYSA-N 0 1 413.455 4.124 20 5 HIBDMN O=C(NCc1ccccc1COCc1ccccc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000480349618 895754235 /nfs/dbraw/zinc/75/42/35/895754235.db2.gz UJDHUBJHKZQAAX-UHFFFAOYSA-N 0 1 416.437 4.118 20 5 HIBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc(N(C)C)cc1C(F)(F)F ZINC000481079632 896399054 /nfs/dbraw/zinc/39/90/54/896399054.db2.gz YAIDJOUMNAKOLF-UHFFFAOYSA-N 0 1 417.409 4.097 20 5 HIBDMN Cc1cc2[nH]ncc2cc1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000481320344 896672259 /nfs/dbraw/zinc/67/22/59/896672259.db2.gz NHDADYAQFGWODY-UHFFFAOYSA-N 0 1 407.352 4.239 20 5 HIBDMN Cc1cc2[nH]ncc2cc1NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000481362479 896742847 /nfs/dbraw/zinc/74/28/47/896742847.db2.gz VXROBYSMBYJJSZ-UHFFFAOYSA-N 0 1 404.376 4.397 20 5 HIBDMN CCC[C@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(=O)N1CCc2sccc2C1 ZINC000482250180 897731179 /nfs/dbraw/zinc/73/11/79/897731179.db2.gz XZDLVUQZQHEREF-QAPCUYQASA-N 0 1 401.532 4.369 20 5 HIBDMN CCC[C@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(=O)N1CCc2sccc2C1 ZINC000482250181 897731301 /nfs/dbraw/zinc/73/13/01/897731301.db2.gz XZDLVUQZQHEREF-YJBOKZPZSA-N 0 1 401.532 4.369 20 5 HIBDMN C[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000484867336 900256141 /nfs/dbraw/zinc/25/61/41/900256141.db2.gz RJISTMIBAUEDHH-JTQLQIEISA-N 0 1 417.771 4.436 20 5 HIBDMN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000485826707 901073183 /nfs/dbraw/zinc/07/31/83/901073183.db2.gz YLFGIUVYLGRNFJ-LJQANCHMSA-N 0 1 423.847 4.022 20 5 HIBDMN C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000485978123 901195385 /nfs/dbraw/zinc/19/53/85/901195385.db2.gz VOCDUOFXMULUFX-YVEFUNNKSA-N 0 1 407.392 4.296 20 5 HIBDMN O=C(Nc1csc(-c2ccccn2)n1)c1sc(Br)cc1[N+](=O)[O-] ZINC000486156842 901345338 /nfs/dbraw/zinc/34/53/38/901345338.db2.gz KKRFRKZMPBVCCE-UHFFFAOYSA-N 0 1 411.262 4.190 20 5 HIBDMN Cc1cccc2nc(CNC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])[nH]c21 ZINC000486430105 901589829 /nfs/dbraw/zinc/58/98/29/901589829.db2.gz NWDYGFNESGDTNL-UHFFFAOYSA-N 0 1 416.437 4.289 20 5 HIBDMN CC(C)N1CCc2nc(CNCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)sc2C1 ZINC000487169135 902083966 /nfs/dbraw/zinc/08/39/66/902083966.db2.gz BPSGFSUNXLBSDN-UHFFFAOYSA-N 0 1 414.453 4.126 20 5 HIBDMN C[C@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(Oc2cccnc2)cc1 ZINC000487935585 902465742 /nfs/dbraw/zinc/46/57/42/902465742.db2.gz NQJGMKFANJROFL-KSFYIVLOSA-N 0 1 418.453 4.238 20 5 HIBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)n[nH]1 ZINC000489190093 903251230 /nfs/dbraw/zinc/25/12/30/903251230.db2.gz SHPUUGRCKZGAQF-GJZGRUSLSA-N 0 1 422.489 4.330 20 5 HIBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cccc(OCc2cccs2)c1 ZINC000490368402 903960806 /nfs/dbraw/zinc/96/08/06/903960806.db2.gz PNUCXUZJQQSXHJ-UHFFFAOYSA-N 0 1 421.438 4.273 20 5 HIBDMN CN(Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccccc1N1CCOCC1 ZINC000506152393 914826218 /nfs/dbraw/zinc/82/62/18/914826218.db2.gz DVHGXGZQTUUBOR-UHFFFAOYSA-N 0 1 407.470 4.323 20 5 HIBDMN COC(=O)COc1ccc(CN[C@H]2CCCc3sc(Cl)cc32)cc1[N+](=O)[O-] ZINC000491983673 904752391 /nfs/dbraw/zinc/75/23/91/904752391.db2.gz VVWPNQLTIUCMSL-ZDUSSCGKSA-N 0 1 410.879 4.029 20 5 HIBDMN CN(C)C(=O)[C@H]1CCCN1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000506233611 914856040 /nfs/dbraw/zinc/85/60/40/914856040.db2.gz HWWPVXDDGPLFDG-QGZVFWFLSA-N 0 1 403.866 4.093 20 5 HIBDMN CC(C)CN1Cc2cccc(NC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)c2C1 ZINC000494461369 905744229 /nfs/dbraw/zinc/74/42/29/905744229.db2.gz PMIMMIXKIQLZDL-UHFFFAOYSA-N 0 1 405.458 4.004 20 5 HIBDMN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000496739374 906748858 /nfs/dbraw/zinc/74/88/58/906748858.db2.gz QAVZKKWQUNSLQF-UHFFFAOYSA-N 0 1 419.522 4.474 20 5 HIBDMN Cn1cc(CN(Cc2cccc(F)c2)C[C@H]2CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000512697707 921290944 /nfs/dbraw/zinc/29/09/44/921290944.db2.gz UPEPWYZIZHLGPL-JOCHJYFZSA-N 0 1 424.476 4.316 20 5 HIBDMN O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498188214 907721431 /nfs/dbraw/zinc/72/14/31/907721431.db2.gz PYXYZAYDQYGPEY-GOSISDBHSA-N 0 1 403.398 4.123 20 5 HIBDMN O=[N+]([O-])c1ccc(CCN2CCN(CCc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000498921498 908332695 /nfs/dbraw/zinc/33/26/95/908332695.db2.gz FASRGVVQUGURGB-UHFFFAOYSA-N 0 1 408.329 4.304 20 5 HIBDMN O=C(N[C@@H](c1cccc(Cl)c1)c1ccccn1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000501281544 910445523 /nfs/dbraw/zinc/44/55/23/910445523.db2.gz XHUVUVVXUFZJNH-SFHVURJKSA-N 0 1 407.817 4.039 20 5 HIBDMN O=[N+]([O-])c1ccc(-c2nc(CN[C@@]3(Cc4ccc(Cl)cc4)CCOC3)co2)cc1 ZINC000502548140 911553588 /nfs/dbraw/zinc/55/35/88/911553588.db2.gz SXNFLVYFJDLZBS-OAQYLSRUSA-N 0 1 413.861 4.395 20 5 HIBDMN COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000506490047 915097447 /nfs/dbraw/zinc/09/74/47/915097447.db2.gz WXQKSTFQLKUDEC-ZDUSSCGKSA-N 0 1 404.850 4.057 20 5 HIBDMN COCCn1cc2c(n1)[C@H](NCc1ccc(-c3ccc([N+](=O)[O-])cc3)s1)CCC2 ZINC000507927624 916803386 /nfs/dbraw/zinc/80/33/86/916803386.db2.gz LYQKBCHLRGVSTJ-LJQANCHMSA-N 0 1 412.515 4.333 20 5 HIBDMN CCN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Cc1ccc(OC)cc1OC ZINC000508639161 917405407 /nfs/dbraw/zinc/40/54/07/917405407.db2.gz UYIFXIBZSZEAHV-UHFFFAOYSA-N 0 1 410.474 4.035 20 5 HIBDMN COc1ccccc1[C@H](CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)N1CCCCC1 ZINC000511276762 919873373 /nfs/dbraw/zinc/87/33/73/919873373.db2.gz JLBPLYPKHALTIV-FQEVSTJZSA-N 0 1 412.490 4.261 20 5 HIBDMN O=C(CN[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000511559250 920200230 /nfs/dbraw/zinc/20/02/30/920200230.db2.gz YXMKROSPBUOSHT-GOSISDBHSA-N 0 1 409.364 4.173 20 5 HIBDMN CC(C)c1ccc(CN2CCC(C(=O)NCCc3cccs3)CC2)cc1[N+](=O)[O-] ZINC000512359098 921101819 /nfs/dbraw/zinc/10/18/19/921101819.db2.gz ATLRFRRPBYNMRB-UHFFFAOYSA-N 0 1 415.559 4.351 20 5 HIBDMN Cc1occc1C(=O)NC1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000513761758 922079848 /nfs/dbraw/zinc/07/98/48/922079848.db2.gz OGEAKFJZXJDSOC-UHFFFAOYSA-N 0 1 409.442 4.151 20 5 HIBDMN O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1cccc(CN2CCSCC2)c1 ZINC000513816878 922139831 /nfs/dbraw/zinc/13/98/31/922139831.db2.gz WDJDAVFGEGTQJI-UHFFFAOYSA-N 0 1 417.556 4.016 20 5 HIBDMN Cc1nc([C@@H]2CCCCN2C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)n[nH]1 ZINC000513943088 922261639 /nfs/dbraw/zinc/26/16/39/922261639.db2.gz XFFIQQUVZMGDKO-SFHVURJKSA-N 0 1 406.446 4.132 20 5 HIBDMN COc1ccc(C[C@H]2CCCN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)cc1 ZINC000514763670 922791784 /nfs/dbraw/zinc/79/17/84/922791784.db2.gz NUFKZGWTQYWWGC-QGZVFWFLSA-N 0 1 408.458 4.108 20 5 HIBDMN Cc1c(NC(=O)[C@H](C)Sc2nc(C=Cc3ccccc3)n[nH]2)cccc1[N+](=O)[O-] ZINC000514968643 922859232 /nfs/dbraw/zinc/85/92/32/922859232.db2.gz POAGXYYNLMJRBM-GETOMWPZSA-N 0 1 409.471 4.311 20 5 HIBDMN Cc1ccc(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)cc1[N+](=O)[O-] ZINC000518587881 927366579 /nfs/dbraw/zinc/36/65/79/927366579.db2.gz IWCNHZROCZTXFU-UHFFFAOYSA-N 0 1 401.894 4.199 20 5 HIBDMN COc1cc(C)c([C@@H](C)N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000520388084 928539345 /nfs/dbraw/zinc/53/93/45/928539345.db2.gz ARKCYQYRMKDNBW-CHWSQXEVSA-N 0 1 421.881 4.252 20 5 HIBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000520769065 928808859 /nfs/dbraw/zinc/80/88/59/928808859.db2.gz ZBCOPDREMNLNLP-UHFFFAOYSA-N 0 1 413.455 4.490 20 5 HIBDMN CCC(CC)(CC)NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000525100273 930034912 /nfs/dbraw/zinc/03/49/12/930034912.db2.gz RDTLUDFSCDPUIA-UHFFFAOYSA-N 0 1 419.503 4.094 20 5 HIBDMN COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccc(Cl)cc2)N(C)C)cc1SC ZINC000530590650 930761191 /nfs/dbraw/zinc/76/11/91/930761191.db2.gz ODDMOKVKZLPANN-MRXNPFEDSA-N 0 1 423.922 4.011 20 5 HIBDMN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)cc1[N+](=O)[O-] ZINC000530966079 930870158 /nfs/dbraw/zinc/87/01/58/930870158.db2.gz FWIFWWPJEVFAPG-KGLIPLIRSA-N 0 1 407.873 4.393 20 5 HIBDMN Cc1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccccc2Br)cc1[N+](=O)[O-] ZINC000530966387 930870913 /nfs/dbraw/zinc/87/09/13/930870913.db2.gz GVLPQFXKNJQXIO-QWHCGFSZSA-N 0 1 406.280 4.344 20 5 HIBDMN CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000531204526 930964245 /nfs/dbraw/zinc/96/42/45/930964245.db2.gz GYZZZCDUNCYIJT-KBPBESRZSA-N 0 1 419.503 4.128 20 5 HIBDMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000531204496 930965116 /nfs/dbraw/zinc/96/51/16/930965116.db2.gz GEXADSDINOFHIU-WBVHZDCISA-N 0 1 421.501 4.384 20 5 HIBDMN Cc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000531443253 931058250 /nfs/dbraw/zinc/05/82/50/931058250.db2.gz DCKIZDWUKRXIQE-CHWSQXEVSA-N 0 1 406.280 4.344 20 5 HIBDMN COc1ccc(CC(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)cc1[N+](=O)[O-] ZINC000531482275 931073606 /nfs/dbraw/zinc/07/36/06/931073606.db2.gz INCLPVGSKCOYRV-INIZCTEOSA-N 0 1 414.849 4.039 20 5 HIBDMN COc1ccc(CN[C@H]2CCCc3c[nH]nc32)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531696748 931160148 /nfs/dbraw/zinc/16/01/48/931160148.db2.gz CLWVPCDSGLRTJB-IBGZPJMESA-N 0 1 408.458 4.073 20 5 HIBDMN CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)N[C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000531703997 931165874 /nfs/dbraw/zinc/16/58/74/931165874.db2.gz OWZYLPJEGSWVMA-SJORKVTESA-N 0 1 400.498 4.288 20 5 HIBDMN COc1ccc(CNCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)cc1[N+](=O)[O-] ZINC000531864356 931226753 /nfs/dbraw/zinc/22/67/53/931226753.db2.gz YQLSLDKBLZPMOB-UHFFFAOYSA-N 0 1 409.417 4.285 20 5 HIBDMN CC[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1OCC(=O)N1CCCC1 ZINC000532210161 931353099 /nfs/dbraw/zinc/35/30/99/931353099.db2.gz RISSVMAUHKESDM-UWJYYQICSA-N 0 1 411.502 4.398 20 5 HIBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCCC[C@H]1c1nc2ccccc2n1C ZINC000532718690 931606917 /nfs/dbraw/zinc/60/69/17/931606917.db2.gz YYOBQIMXHMWWCF-NRFANRHFSA-N 0 1 421.501 4.346 20 5 HIBDMN C[C@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H](c2ccc(F)cc2)O1 ZINC000533438368 931869221 /nfs/dbraw/zinc/86/92/21/931869221.db2.gz DXRRXAJLZPUDBZ-BTYIYWSLSA-N 0 1 411.433 4.393 20 5 HIBDMN COc1ccc(-c2ccc(CN[C@@H]3CCN(C(C)=O)c4ccccc43)o2)c([N+](=O)[O-])c1 ZINC000533803545 932038627 /nfs/dbraw/zinc/03/86/27/932038627.db2.gz JTLHVMISMNYHLP-HXUWFJFHSA-N 0 1 421.453 4.451 20 5 HIBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534228266 932347693 /nfs/dbraw/zinc/34/76/93/932347693.db2.gz HMHKBGXPMWOZGO-IFXJQAMLSA-N 0 1 405.857 4.119 20 5 HIBDMN C[C@](O)(CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(F)(F)F ZINC000534818823 932790657 /nfs/dbraw/zinc/79/06/57/932790657.db2.gz ZOBXXAIQIUDNHW-AWEZNQCLSA-N 0 1 423.185 4.020 20 5 HIBDMN COc1ccc(OC2CCN(Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000535785262 933386298 /nfs/dbraw/zinc/38/62/98/933386298.db2.gz XKLFFELPMJKOLI-UHFFFAOYSA-N 0 1 422.485 4.047 20 5 HIBDMN Cn1cc(CN2CC[C@H](Oc3ccccc3Cl)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000537660884 938348934 /nfs/dbraw/zinc/34/89/34/938348934.db2.gz KECRRIZBLXUYRZ-SFHVURJKSA-N 0 1 412.877 4.302 20 5 HIBDMN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000537691558 938356058 /nfs/dbraw/zinc/35/60/58/938356058.db2.gz RVYAKWOVLFLDNX-UHFFFAOYSA-N 0 1 414.290 4.306 20 5 HIBDMN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](C)c1nc(-c2ccncc2)cs1 ZINC000537968522 938439519 /nfs/dbraw/zinc/43/95/19/938439519.db2.gz KKTGJFJONJJJCE-KGLIPLIRSA-N 0 1 411.487 4.181 20 5 HIBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000538126659 938512666 /nfs/dbraw/zinc/51/26/66/938512666.db2.gz OKVBIFNWGSSMJC-QGZVFWFLSA-N 0 1 420.469 4.167 20 5 HIBDMN COc1cc([C@@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)ccc1OCC(C)C ZINC000538168201 938533748 /nfs/dbraw/zinc/53/37/48/938533748.db2.gz UPKDMQZHCUTSEU-MRXNPFEDSA-N 0 1 415.490 4.236 20 5 HIBDMN CC(NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)(c1ccccc1)c1ccccc1 ZINC000538206211 938554589 /nfs/dbraw/zinc/55/45/89/938554589.db2.gz GAZRNGHXQWNSFV-UHFFFAOYSA-N 0 1 401.466 4.037 20 5 HIBDMN CCOc1ccc(NC(=O)CN[C@H](C)c2ccc(-c3cccnc3)cc2)c([N+](=O)[O-])c1 ZINC000538232486 938566944 /nfs/dbraw/zinc/56/69/44/938566944.db2.gz BWYKOIMZJSSQRD-MRXNPFEDSA-N 0 1 420.469 4.345 20 5 HIBDMN C[C@@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(-c2cccnc2)cc1 ZINC000538233622 938567860 /nfs/dbraw/zinc/56/78/60/938567860.db2.gz XKXXGUJOUVHZJX-OPAMFIHVSA-N 0 1 402.454 4.113 20 5 HIBDMN Cc1ccc([C@@H](C)NCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1[N+](=O)[O-] ZINC000538278299 938582085 /nfs/dbraw/zinc/58/20/85/938582085.db2.gz RNNRGFRSPIAVFY-CYBMUJFWSA-N 0 1 414.462 4.455 20 5 HIBDMN COc1cc(CNCCOc2cccc(Cl)c2Cl)c([N+](=O)[O-])cc1OC ZINC000538370431 938605761 /nfs/dbraw/zinc/60/57/61/938605761.db2.gz QUKZPBTWMZPEAZ-UHFFFAOYSA-N 0 1 401.246 4.087 20 5 HIBDMN O=C1C[C@@]2(CN1)CCCN(Cc1ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c1)C2 ZINC000538738168 938697463 /nfs/dbraw/zinc/69/74/63/938697463.db2.gz DAHZXONZYSYHRJ-OAQYLSRUSA-N 0 1 415.877 4.143 20 5 HIBDMN CCC(C)(C)OCc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000563480948 945199459 /nfs/dbraw/zinc/19/94/59/945199459.db2.gz DQQUAKIMIMOPPT-UHFFFAOYSA-N 0 1 408.476 4.109 20 5 HIBDMN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccccc3-c3nnc[nH]3)cc2[N+](=O)[O-])C1 ZINC000538897828 938733178 /nfs/dbraw/zinc/73/31/78/938733178.db2.gz DVPYYEHMEXZBBB-GJZGRUSLSA-N 0 1 420.473 4.115 20 5 HIBDMN CC[C@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)OCCO2 ZINC000539277927 938832070 /nfs/dbraw/zinc/83/20/70/938832070.db2.gz XAMMZMSATURFJZ-LRDDRELGSA-N 0 1 419.865 4.087 20 5 HIBDMN COc1ccc([C@@H]2CCCCCN2C(=O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000539277623 938832175 /nfs/dbraw/zinc/83/21/75/938832175.db2.gz RQHBGVAPLJPUAE-JTSKRJEESA-N 0 1 411.502 4.398 20 5 HIBDMN COc1cc(CN[C@H](c2ccccc2)[C@H]2CCOC2)c([N+](=O)[O-])cc1OC(F)F ZINC000539297877 938836160 /nfs/dbraw/zinc/83/61/60/938836160.db2.gz UEPZTVZWINVCRT-IFXJQAMLSA-N 0 1 408.401 4.072 20 5 HIBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](COc1ccccc1)c1ccccc1 ZINC000539317158 938840085 /nfs/dbraw/zinc/84/00/85/938840085.db2.gz PTKANDAQJZOGDO-HXUWFJFHSA-N 0 1 405.454 4.252 20 5 HIBDMN COc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(-c3ccncc3)cc2)c([N+](=O)[O-])c1 ZINC000539339301 938844953 /nfs/dbraw/zinc/84/49/53/938844953.db2.gz QYEYZQXODUSRKF-HZPDHXFCSA-N 0 1 420.469 4.343 20 5 HIBDMN COc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(-c3ccncc3)cc2)c([N+](=O)[O-])c1 ZINC000539339302 938845012 /nfs/dbraw/zinc/84/50/12/938845012.db2.gz QYEYZQXODUSRKF-JKSUJKDBSA-N 0 1 420.469 4.343 20 5 HIBDMN CCOc1ccc(NC(=O)CN[C@H](c2ccc(F)c(C)c2)C2CC2)c([N+](=O)[O-])c1 ZINC000539421465 938857902 /nfs/dbraw/zinc/85/79/02/938857902.db2.gz CIEPAMNMXPUSQI-NRFANRHFSA-N 0 1 401.438 4.120 20 5 HIBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000539761318 938927089 /nfs/dbraw/zinc/92/70/89/938927089.db2.gz GAZMFEPEKZTDGN-INIZCTEOSA-N 0 1 406.446 4.100 20 5 HIBDMN CCCO[C@H]1CCCN(Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000539832559 938951436 /nfs/dbraw/zinc/95/14/36/938951436.db2.gz ULQPNDGTEQDXTI-HNNXBMFYSA-N 0 1 420.428 4.326 20 5 HIBDMN CN(C(=O)CN[C@@H](Cc1ccccc1)c1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000540446060 939252830 /nfs/dbraw/zinc/25/28/30/939252830.db2.gz LKLYACHKMNRSFJ-QFIPXVFZSA-N 0 1 407.445 4.270 20 5 HIBDMN Cc1ccc([C@H](C)N[C@@H](C)C(=O)N(C)Cc2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000540476790 939268002 /nfs/dbraw/zinc/26/80/02/939268002.db2.gz RPCPBBAKSSVQSZ-GJZGRUSLSA-N 0 1 412.515 4.211 20 5 HIBDMN Cc1ccc(CN[C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)cc1[N+](=O)[O-] ZINC000540734765 939353356 /nfs/dbraw/zinc/35/33/56/939353356.db2.gz UUNWEFFJLDQTLN-GOSISDBHSA-N 0 1 421.419 4.203 20 5 HIBDMN CN1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000541785251 939629635 /nfs/dbraw/zinc/62/96/35/939629635.db2.gz JXHCQJWTRUUAFR-XIKOKIGWSA-N 0 1 424.835 4.341 20 5 HIBDMN O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000542385833 939812060 /nfs/dbraw/zinc/81/20/60/939812060.db2.gz ADZNBJIQNRIJTN-UHFFFAOYSA-N 0 1 424.284 4.002 20 5 HIBDMN C[C@@H](C(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1ccc([N+](=O)[O-])cc1F ZINC000542529258 939837980 /nfs/dbraw/zinc/83/79/80/939837980.db2.gz UUKHDJKTZYJMDD-GFCCVEGCSA-N 0 1 405.389 4.414 20 5 HIBDMN O=C(NCC1CCN(Cc2ccccc2Cl)CC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000542763191 939859560 /nfs/dbraw/zinc/85/95/60/939859560.db2.gz PNISMEDZAXFYGQ-UHFFFAOYSA-N 0 1 420.872 4.421 20 5 HIBDMN CCN(CC)C(=O)Nc1ccc([C@@H](C)NCc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000543428614 940061348 /nfs/dbraw/zinc/06/13/48/940061348.db2.gz ZHQPPGCNCFWHPO-OAHLLOKOSA-N 0 1 400.479 4.328 20 5 HIBDMN C[C@H](C(=O)Nc1nc2ccc(Br)cc2[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000543440758 940064862 /nfs/dbraw/zinc/06/48/62/940064862.db2.gz GTOYDJHKXCJMIB-QMMMGPOBSA-N 0 1 407.199 4.115 20 5 HIBDMN Cc1ccc(CN2CCSCC2)cc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000543469434 940074342 /nfs/dbraw/zinc/07/43/42/940074342.db2.gz ZDOZJSSBKRPKFE-OAHLLOKOSA-N 0 1 417.506 4.333 20 5 HIBDMN COc1ccc(CN2CCOCC3(CCC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000545561124 940574647 /nfs/dbraw/zinc/57/46/47/940574647.db2.gz UWSPLIQJKQODCM-UHFFFAOYSA-N 0 1 412.486 4.185 20 5 HIBDMN O=[N+]([O-])c1ccccc1NCCc1noc(-c2ccc3[nH]c(C(F)F)nc3c2)n1 ZINC000547086307 940989926 /nfs/dbraw/zinc/98/99/26/940989926.db2.gz MAVVWZKYXFYDPK-UHFFFAOYSA-N 0 1 400.345 4.113 20 5 HIBDMN CN(C)[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1ccc(Cl)cc1 ZINC000547270779 941049695 /nfs/dbraw/zinc/04/96/95/941049695.db2.gz LLZBZCWIUFDGMC-SFHVURJKSA-N 0 1 407.873 4.084 20 5 HIBDMN CN(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000551675479 941524492 /nfs/dbraw/zinc/52/44/92/941524492.db2.gz DXZLDQQXMGMAGX-MRXNPFEDSA-N 0 1 415.799 4.300 20 5 HIBDMN C[C@@H](N[C@@H](C)c1ccc(OCC(F)(F)F)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000552913592 941802034 /nfs/dbraw/zinc/80/20/34/941802034.db2.gz NRWOXKWNYYNZQN-QWHCGFSZSA-N 0 1 411.380 4.214 20 5 HIBDMN CC(C)(NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F)c1ccccc1[N+](=O)[O-] ZINC000553709350 941948462 /nfs/dbraw/zinc/94/84/62/941948462.db2.gz FBIGZECIJIBLEE-SFHVURJKSA-N 0 1 417.456 4.104 20 5 HIBDMN CC(C)(NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F)c1ccccc1[N+](=O)[O-] ZINC000553709349 941948506 /nfs/dbraw/zinc/94/85/06/941948506.db2.gz FBIGZECIJIBLEE-GOSISDBHSA-N 0 1 417.456 4.104 20 5 HIBDMN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC[N@H+](C2CCC2)C1 ZINC000553867397 941987571 /nfs/dbraw/zinc/98/75/71/941987571.db2.gz PCRPYZBVWRQBSN-KRWDZBQOSA-N 0 1 409.486 4.334 20 5 HIBDMN COc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(C)c1OC ZINC000554291472 942092236 /nfs/dbraw/zinc/09/22/36/942092236.db2.gz VYMQIQIMCDMLMQ-CHWSQXEVSA-N 0 1 421.881 4.252 20 5 HIBDMN Cc1ccccc1C1(CN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000556872953 942945660 /nfs/dbraw/zinc/94/56/60/942945660.db2.gz LVSRHTLTKCOSMC-QFIPXVFZSA-N 0 1 420.513 4.064 20 5 HIBDMN COc1ccc([C@@H](CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)N2CCCCC2)cc1 ZINC000557627358 943237547 /nfs/dbraw/zinc/23/75/47/943237547.db2.gz XENBCFANRXPUMG-VGOFRKELSA-N 0 1 411.502 4.050 20 5 HIBDMN Cc1cc(CN(Cc2cc(O)ccc2[N+](=O)[O-])CC(C)C)nc(N2CCCCC2)n1 ZINC000559144927 943853330 /nfs/dbraw/zinc/85/33/30/943853330.db2.gz 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863897571 /nfs/dbraw/zinc/89/75/71/863897571.db2.gz SDDUENSICGACRD-INIZCTEOSA-N 0 1 423.469 4.437 20 5 HIBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CNC(C)(C)c1ccc(Br)cc1 ZINC000438665974 864118269 /nfs/dbraw/zinc/11/82/69/864118269.db2.gz GFQILIVSRQAYFG-UHFFFAOYSA-N 0 1 406.280 4.129 20 5 HIBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CNC1(c2ccc(Br)cc2)CCC1 ZINC000438723675 864206864 /nfs/dbraw/zinc/20/68/64/864206864.db2.gz MDRAPMJXXXRVPV-UHFFFAOYSA-N 0 1 418.291 4.273 20 5 HIBDMN C[C@H](N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000468052192 881877169 /nfs/dbraw/zinc/87/71/69/881877169.db2.gz RNZWLFSIZFJEHO-BBRMVZONSA-N 0 1 407.392 4.065 20 5 HIBDMN C[C@H](N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000468052195 881877183 /nfs/dbraw/zinc/87/71/83/881877183.db2.gz RNZWLFSIZFJEHO-XJKSGUPXSA-N 0 1 407.392 4.065 20 5 HIBDMN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000440749652 865887935 /nfs/dbraw/zinc/88/79/35/865887935.db2.gz 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CCOc1ccc(-c2nc(-c3cc(Cl)c(O)c(OCC)c3)no2)cc1[N+](=O)[O-] ZINC000445422642 869506453 /nfs/dbraw/zinc/50/64/53/869506453.db2.gz PEAYXOUWVIQFSI-UHFFFAOYSA-N 0 1 405.794 4.468 20 5 HIBDMN CCOc1cc(-c2nc(Cc3cc(OC)ccc3[N+](=O)[O-])no2)cc(Cl)c1O ZINC000445578313 869638157 /nfs/dbraw/zinc/63/81/57/869638157.db2.gz DQJROMCGQSJZBQ-UHFFFAOYSA-N 0 1 405.794 4.002 20 5 HIBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000446483945 870397840 /nfs/dbraw/zinc/39/78/40/870397840.db2.gz GAQPNKNPHGGZCO-MRXNPFEDSA-N 0 1 412.494 4.481 20 5 HIBDMN CSCc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000446986126 870880004 /nfs/dbraw/zinc/88/00/04/870880004.db2.gz DULUDPVKLMQBQE-UHFFFAOYSA-N 0 1 417.306 4.021 20 5 HIBDMN Cc1ccc(S(=O)(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)cc1[N+](=O)[O-] ZINC000447264203 871143715 /nfs/dbraw/zinc/14/37/15/871143715.db2.gz LFVDOZPVAOCAQZ-UHFFFAOYSA-N 0 1 421.381 4.170 20 5 HIBDMN CC[C@@H](N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1OCC(=O)N(C)C ZINC000447528932 871392759 /nfs/dbraw/zinc/39/27/59/871392759.db2.gz KAQYHPYTRIXFMI-NHCUHLMSSA-N 0 1 411.502 4.180 20 5 HIBDMN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1cc3c(c(Br)c1)OCO3)CCC2 ZINC000447554320 871435931 /nfs/dbraw/zinc/43/59/31/871435931.db2.gz ZYAXELOQIUNHRS-INIZCTEOSA-N 0 1 405.248 4.253 20 5 HIBDMN Cc1ccc(CN[C@@H](Cc2ccccc2)C(=O)N(C)c2ccccc2)cc1[N+](=O)[O-] ZINC000462734028 875807307 /nfs/dbraw/zinc/80/73/07/875807307.db2.gz MGWVKFNJJYCIFU-QFIPXVFZSA-N 0 1 403.482 4.267 20 5 HIBDMN C[C@@H]1C[C@H]1N1C[C@@H](NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1=O ZINC000462752664 875818448 /nfs/dbraw/zinc/81/84/48/875818448.db2.gz BJEVTPCUDVZUMJ-UKPHBRMFSA-N 0 1 415.877 4.139 20 5 HIBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@@H](C)c1ccc(Br)cc1OCCCO ZINC000463027928 876047771 /nfs/dbraw/zinc/04/77/71/876047771.db2.gz HZOKAIFFNIKUHL-AWEZNQCLSA-N 0 1 423.307 4.278 20 5 HIBDMN COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c(Cl)c1Cl ZINC000463444493 876502876 /nfs/dbraw/zinc/50/28/76/876502876.db2.gz ROIPOCCMGMYPSS-UHFFFAOYSA-N 0 1 405.259 4.328 20 5 HIBDMN CCS[C@@H]1CC[C@H](N(C)CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000464779241 878025670 /nfs/dbraw/zinc/02/56/70/878025670.db2.gz UIOROIHXWWPLNW-GOEBONIOSA-N 0 1 420.560 4.263 20 5 HIBDMN COc1cc(CNCc2cc3cc(Br)ccc3[nH]2)c([N+](=O)[O-])cc1OC ZINC000466451202 880229649 /nfs/dbraw/zinc/22/96/49/880229649.db2.gz GETPGZDPGLYYJV-UHFFFAOYSA-N 0 1 420.263 4.146 20 5 HIBDMN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)CCC2CCOCC2)c([N+](=O)[O-])c1 ZINC000466479587 880260802 /nfs/dbraw/zinc/26/08/02/880260802.db2.gz YMPNSQIKTIOHOM-JOCHJYFZSA-N 0 1 411.502 4.332 20 5 HIBDMN CN1CCCN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)CC1 ZINC000466795902 880574701 /nfs/dbraw/zinc/57/47/01/880574701.db2.gz QQFBPIKFYYYNQG-UHFFFAOYSA-N 0 1 405.907 4.177 20 5 HIBDMN CCOc1ccc([C@H](C)NCc2cc(Cl)ccc2N2CCOCC2)cc1[N+](=O)[O-] ZINC000467333798 881082820 /nfs/dbraw/zinc/08/28/20/881082820.db2.gz DIXZHCFBWYAQIB-HNNXBMFYSA-N 0 1 419.909 4.334 20 5 HIBDMN C[C@H](NC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000470042618 884284166 /nfs/dbraw/zinc/28/41/66/884284166.db2.gz FQXJZNNATRLOBM-SCLBCKFNSA-N 0 1 424.423 4.277 20 5 HIBDMN Cc1ccc(NC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000503927868 912868468 /nfs/dbraw/zinc/86/84/68/912868468.db2.gz JYJOCVVSACGEJC-UHFFFAOYSA-N 0 1 402.882 4.343 20 5 HIBDMN COC(=O)COc1ccc(CNCc2ccc(-c3cccc(C)c3)cc2)cc1[N+](=O)[O-] ZINC000475115117 889967781 /nfs/dbraw/zinc/96/77/81/889967781.db2.gz HYLHQHFRXVKUPM-UHFFFAOYSA-N 0 1 420.465 4.412 20 5 HIBDMN CN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475304732 890214634 /nfs/dbraw/zinc/21/46/34/890214634.db2.gz RIEFKLFCHLGFPL-LJQANCHMSA-N 0 1 422.510 4.065 20 5 HIBDMN CC[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@@]2(CCOC2)O1 ZINC000475628182 890567549 /nfs/dbraw/zinc/56/75/49/890567549.db2.gz ZUHWENRATKTREY-MGPUTAFESA-N 0 1 406.866 4.278 20 5 HIBDMN CC(C)c1nc([C@H](C)NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)n[nH]1 ZINC000477312846 892276736 /nfs/dbraw/zinc/27/67/36/892276736.db2.gz YTJDLBNUYCZBQQ-ZDUSSCGKSA-N 0 1 411.487 4.479 20 5 HIBDMN CCOc1ccc([C@@H](C)NCc2cccc(NC(=O)c3ccccn3)c2)cc1[N+](=O)[O-] ZINC000504927171 913665305 /nfs/dbraw/zinc/66/53/05/913665305.db2.gz NLHYVQYNRPOSFH-MRXNPFEDSA-N 0 1 420.469 4.492 20 5 HIBDMN Cc1ccc(Sc2ccc(CNCc3ccnc4ccnn43)cc2[N+](=O)[O-])cc1 ZINC000478379977 893649439 /nfs/dbraw/zinc/64/94/39/893649439.db2.gz BKRZHQUSMZNNIQ-UHFFFAOYSA-N 0 1 405.483 4.387 20 5 HIBDMN COc1ccc([N+](=O)[O-])c(C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)c1 ZINC000478781287 894057798 /nfs/dbraw/zinc/05/77/98/894057798.db2.gz IVYKXEKFPOMVNE-UHFFFAOYSA-N 0 1 408.798 4.167 20 5 HIBDMN O=C(NCc1cccc(COCc2ccccc2)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000480214451 895618591 /nfs/dbraw/zinc/61/85/91/895618591.db2.gz GGDLPFRDRPLFCM-UHFFFAOYSA-N 0 1 416.437 4.118 20 5 HIBDMN CN(CCCN(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)Cc1ccco1 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VKXGFODMRULGCA-UHFFFAOYSA-N 0 1 424.457 4.042 20 5 HIBDMN CC(C)[C@](C)(NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000484345137 899894304 /nfs/dbraw/zinc/89/43/04/899894304.db2.gz PJSJXFONLWTRAO-IBGZPJMESA-N 0 1 420.307 4.117 20 5 HIBDMN Cc1ccccc1O[C@H]1CCCC[C@@H]1NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000484655021 900099789 /nfs/dbraw/zinc/09/97/89/900099789.db2.gz YJRJCFYKEMBOSG-ICSRJNTNSA-N 0 1 408.458 4.433 20 5 HIBDMN COc1cc(CNc2ccc(Oc3cccc(F)c3F)nc2)cc([N+](=O)[O-])c1O ZINC000485955890 901173981 /nfs/dbraw/zinc/17/39/81/901173981.db2.gz KBWLLYHRWLZDQC-UHFFFAOYSA-N 0 1 403.341 4.387 20 5 HIBDMN CC(C)CCn1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C(C)C ZINC000486099145 901287805 /nfs/dbraw/zinc/28/78/05/901287805.db2.gz JGAFGIFLDCWBQV-UHFFFAOYSA-N 0 1 414.915 4.415 20 5 HIBDMN CC1(C)CC[C@@H](CN[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)O1 ZINC000488181775 902669866 /nfs/dbraw/zinc/66/98/66/902669866.db2.gz FWGRNHAGDYNYFZ-LPHOPBHVSA-N 0 1 417.893 4.475 20 5 HIBDMN CC[N@@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Cc1ccc(OC)c(OC)c1 ZINC000506017370 914694252 /nfs/dbraw/zinc/69/42/52/914694252.db2.gz QYYLZTXKOUAHBG-UHFFFAOYSA-N 0 1 410.474 4.035 20 5 HIBDMN Cc1ccc([C@H](CNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)N2CCCC2)o1 ZINC000489143088 903228419 /nfs/dbraw/zinc/22/84/19/903228419.db2.gz UAWRNMBGTUDKJI-LPHOPBHVSA-N 0 1 400.479 4.002 20 5 HIBDMN C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000490346190 903939628 /nfs/dbraw/zinc/93/96/28/903939628.db2.gz SUJVICYNGCZRHL-JTQLQIEISA-N 0 1 403.851 4.153 20 5 HIBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(Sc2ccccn2)cc1 ZINC000490394699 903979868 /nfs/dbraw/zinc/97/98/68/903979868.db2.gz DHFCCFNRYIHTNC-UHFFFAOYSA-N 0 1 418.438 4.178 20 5 HIBDMN CSc1ccc(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)n[nH]2)cc1[N+](=O)[O-] ZINC000490588591 904120048 /nfs/dbraw/zinc/12/00/48/904120048.db2.gz RHIJMZOUZSWHNV-UHFFFAOYSA-N 0 1 423.376 4.373 20 5 HIBDMN 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ZINC000512606001 921257874 /nfs/dbraw/zinc/25/78/74/921257874.db2.gz KBFNIWYFVMTVME-UHFFFAOYSA-N 0 1 402.403 4.114 20 5 HIBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3cc([N+](=O)[O-])ccc3SCC(C)C)n2)o1 ZINC000497735691 907231707 /nfs/dbraw/zinc/23/17/07/907231707.db2.gz OCKYVECYWHHZEB-UHFFFAOYSA-N 0 1 401.448 4.282 20 5 HIBDMN O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000497910593 907383084 /nfs/dbraw/zinc/38/30/84/907383084.db2.gz LAOYWBMLVRKRDO-HXUWFJFHSA-N 0 1 424.888 4.363 20 5 HIBDMN CSc1ccccc1[C@@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000501555685 910658169 /nfs/dbraw/zinc/65/81/69/910658169.db2.gz WAHJRUSLASAGCR-LLVKDONJSA-N 0 1 424.320 4.369 20 5 HIBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000502329052 911307860 /nfs/dbraw/zinc/30/78/60/911307860.db2.gz DBFGPZHRAHTOBE-CRAIPNDOSA-N 0 1 411.506 4.387 20 5 HIBDMN Cc1nnc(NC(=O)CC(=Cc2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)[nH]1 ZINC000502694119 911731120 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Cc1nc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)n[nH]1 ZINC000553639047 941929825 /nfs/dbraw/zinc/92/98/25/941929825.db2.gz QSQQOIQHWJTRCF-JTQLQIEISA-N 0 1 417.878 4.317 20 5 HIBDMN O=[N+]([O-])c1ccc(-c2ccc(CNCc3ccc(Cn4cncn4)cc3)o2)c(Cl)c1 ZINC000555198503 942428381 /nfs/dbraw/zinc/42/83/81/942428381.db2.gz QCBUWWWFQMSFHX-UHFFFAOYSA-N 0 1 423.860 4.438 20 5 HIBDMN Cc1ccc2c(CCN[C@H](c3nccn3C)c3ccc([N+](=O)[O-])cc3)cn(C)c2c1 ZINC000556893004 942954499 /nfs/dbraw/zinc/95/44/99/942954499.db2.gz SLOMMTWCDMTWRV-QFIPXVFZSA-N 0 1 403.486 4.050 20 5 HIBDMN C[C@H](NCc1ccc(Br)cc1N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000557279353 943066086 /nfs/dbraw/zinc/06/60/86/943066086.db2.gz FKJKUUAEFGUNKP-AWEZNQCLSA-N 0 1 420.307 4.045 20 5 HIBDMN C[C@@H](N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000558086371 943376511 /nfs/dbraw/zinc/37/65/11/943376511.db2.gz SKALTRIKSBQYTE-WZONZLPQSA-N 0 1 403.482 4.173 20 5 HIBDMN Cn1ccnc1[C@H](NC[C@H]1CCCO[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000560531010 944244862 /nfs/dbraw/zinc/24/48/62/944244862.db2.gz WEENZNPPYPMDNB-CEMLEFRQSA-N 0 1 406.486 4.175 20 5 HIBDMN O=c1[nH]c(N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)nc2ccc([N+](=O)[O-])cc12 ZINC000561235383 944523099 /nfs/dbraw/zinc/52/30/99/944523099.db2.gz JDYSAPOFHZJQAP-INIZCTEOSA-N 0 1 410.821 4.115 20 5 HIBDMN O=c1[nH]c(N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)nc2ccc([N+](=O)[O-])cc12 ZINC000561235384 944523168 /nfs/dbraw/zinc/52/31/68/944523168.db2.gz JDYSAPOFHZJQAP-MRXNPFEDSA-N 0 1 410.821 4.115 20 5 HIBDMN CCc1ccc([C@@H](N[C@@H]2CCOC3(CCOCC3)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000564258300 945476279 /nfs/dbraw/zinc/47/62/79/945476279.db2.gz UAYDQOVYTASIMD-UTKZUKDTSA-N 0 1 400.475 4.157 20 5 HIBDMN CCc1ccc([C@H](N[C@H]2CCOC3(CCOCC3)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000564258299 945476542 /nfs/dbraw/zinc/47/65/42/945476542.db2.gz UAYDQOVYTASIMD-LAUBAEHRSA-N 0 1 400.475 4.157 20 5 HIBDMN O=[N+]([O-])c1ccccc1Cc1noc([C@H]2CN(Cc3ccccc3)CCC2(F)F)n1 ZINC000564611379 945704908 /nfs/dbraw/zinc/70/49/08/945704908.db2.gz YUTSPHYIGPBNAC-QGZVFWFLSA-N 0 1 414.412 4.193 20 5 HIBDMN Cc1cc2cc(CNCc3cc(I)cc([N+](=O)[O-])c3)ccc2[nH]1 ZINC000566943970 946181648 /nfs/dbraw/zinc/18/16/48/946181648.db2.gz QFUGJQDGTJNPOK-UHFFFAOYSA-N 0 1 421.238 4.279 20 5 HIBDMN CCN1CCN(c2ccc(Cl)cc2NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000567429122 946336202 /nfs/dbraw/zinc/33/62/02/946336202.db2.gz WVDLFMXERFCYTJ-OAHLLOKOSA-N 0 1 416.909 4.132 20 5 HIBDMN COc1ccc([C@H](Cc2ccccc2)NCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000567549535 946372842 /nfs/dbraw/zinc/37/28/42/946372842.db2.gz ZWXFJYXDJYWYQS-NRFANRHFSA-N 0 1 405.454 4.116 20 5 HIBDMN Cc1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)ccc1C(F)(F)F ZINC000570094472 947093615 /nfs/dbraw/zinc/09/36/15/947093615.db2.gz ALCVDGHEBXBPCU-UHFFFAOYSA-N 0 1 411.361 4.271 20 5 HIBDMN COc1ccc(-c2ccc(CNCc3cc(C)nc(N4CCCC4)c3)o2)c([N+](=O)[O-])c1 ZINC000571451068 947652576 /nfs/dbraw/zinc/65/25/76/947652576.db2.gz AHAGSEHJELBDRX-UHFFFAOYSA-N 0 1 422.485 4.457 20 5 HIBDMN C[C@@H](CN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000571901582 947808958 /nfs/dbraw/zinc/80/89/58/947808958.db2.gz IJIBRAGZSPXURS-ZDUSSCGKSA-N 0 1 406.280 4.031 20 5 HIBDMN Cc1cc(S(=O)(=O)Nc2cccc(CSC3CCOCC3)c2)ccc1[N+](=O)[O-] ZINC000573282130 948141100 /nfs/dbraw/zinc/14/11/00/948141100.db2.gz QQXYVZPZCXRBFV-UHFFFAOYSA-N 0 1 422.528 4.116 20 5 HIBDMN C[C@@H](C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000574743585 948519828 /nfs/dbraw/zinc/51/98/28/948519828.db2.gz IHGKUAHJZNPIPO-QRWLVFNGSA-N 0 1 401.894 4.305 20 5 HIBDMN Cc1ccc2[nH]c3c(c2c1)C[C@H](N[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)CC3 ZINC000574923714 948553553 /nfs/dbraw/zinc/55/35/53/948553553.db2.gz RMCHAKZCZULQOI-UZUQRXQVSA-N 0 1 415.497 4.355 20 5 HIBDMN Cc1c(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(Br)s2)cccc1[N+](=O)[O-] ZINC000436008679 861298254 /nfs/dbraw/zinc/29/82/54/861298254.db2.gz FWIZHVSCEKTYMV-WDEREUQCSA-N 0 1 412.309 4.405 20 5 HIBDMN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000436124877 861410969 /nfs/dbraw/zinc/41/09/69/861410969.db2.gz AUDBGJZZLBDRSS-YLJYHZDGSA-N 0 1 411.505 4.247 20 5 HIBDMN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(Br)cc1Cl ZINC000005121397 845083785 /nfs/dbraw/zinc/08/37/85/845083785.db2.gz XEJUQXBVLWPNEV-UHFFFAOYSA-N 0 1 405.657 4.120 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000007708288 845394057 /nfs/dbraw/zinc/39/40/57/845394057.db2.gz UARFPRKAQUEAAN-UHFFFAOYSA-N 0 1 400.412 4.197 20 5 HIBDMN C[C@@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000009801187 845592469 /nfs/dbraw/zinc/59/24/69/845592469.db2.gz SFNBIFNTRQBYCI-SECBINFHSA-N 0 1 421.841 4.292 20 5 HIBDMN COc1ccc2nc(SCc3cc(OC)c(OC(F)F)cc3[N+](=O)[O-])[nH]c2c1 ZINC000011321934 845779947 /nfs/dbraw/zinc/77/99/47/845779947.db2.gz ZGBLYPCZGJNENA-UHFFFAOYSA-N 0 1 411.386 4.382 20 5 HIBDMN Cc1ccc(C=Cc2n[nH]c(S[C@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)n2)o1 ZINC000023223343 846673451 /nfs/dbraw/zinc/67/34/51/846673451.db2.gz GSASCWDFHUFQBA-LXSSAFMLSA-N 0 1 417.422 4.043 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)c1ccc(Br)cc1 ZINC000023994723 846769367 /nfs/dbraw/zinc/76/93/67/846769367.db2.gz ZKIRNFARLOZFSD-NEPJUHHUSA-N 0 1 422.279 4.044 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(Br)cc1 ZINC000023994719 846769407 /nfs/dbraw/zinc/76/94/07/846769407.db2.gz ZKIRNFARLOZFSD-RYUDHWBXSA-N 0 1 422.279 4.044 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000025215321 846943036 /nfs/dbraw/zinc/94/30/36/846943036.db2.gz KOQJFNGAOZUTBQ-IAQYHMDHSA-N 0 1 421.906 4.411 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCSc1nc2ccc(Cl)cc2[nH]1 ZINC000026251220 847112300 /nfs/dbraw/zinc/11/23/00/847112300.db2.gz WQSWHIWZYNLPGL-UHFFFAOYSA-N 0 1 406.851 4.254 20 5 HIBDMN CN(CCC(=O)N[C@H](c1cccs1)c1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000026349431 847131574 /nfs/dbraw/zinc/13/15/74/847131574.db2.gz FOTUJWPXNFSLAH-QFIPXVFZSA-N 0 1 409.511 4.384 20 5 HIBDMN O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000027334794 847285153 /nfs/dbraw/zinc/28/51/53/847285153.db2.gz VJOODHVRJRDAFS-NRFANRHFSA-N 0 1 420.469 4.498 20 5 HIBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000027605052 847326781 /nfs/dbraw/zinc/32/67/81/847326781.db2.gz SHDQZJLYXQUYOK-PBHICJAKSA-N 0 1 405.545 4.090 20 5 HIBDMN CC[C@@H](CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000029909769 847648267 /nfs/dbraw/zinc/64/82/67/847648267.db2.gz NAXHKGRLIPXNMR-APWZRJJASA-N 0 1 413.543 4.029 20 5 HIBDMN O=[N+]([O-])c1ccc(O)cc1CSc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000436473019 861818040 /nfs/dbraw/zinc/81/80/40/861818040.db2.gz DOAHJIBIGKASRO-UHFFFAOYSA-N 0 1 404.757 4.308 20 5 HIBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1SCC(F)(F)F ZINC000034385349 848140510 /nfs/dbraw/zinc/14/05/10/848140510.db2.gz ASQGGOBRAHHBPL-UHFFFAOYSA-N 0 1 406.407 4.358 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000043302843 848406671 /nfs/dbraw/zinc/40/66/71/848406671.db2.gz CSIXARBAHHCQIG-VXGBXAGGSA-N 0 1 411.380 4.300 20 5 HIBDMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000052966039 849650294 /nfs/dbraw/zinc/65/02/94/849650294.db2.gz BBEXGARBJNTWFK-UHFFFAOYSA-N 0 1 412.877 4.124 20 5 HIBDMN Cc1[nH]c(SCC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)nc1Cc1ccccc1 ZINC000053268879 849688009 /nfs/dbraw/zinc/68/80/09/849688009.db2.gz RYBDYLQFULSACW-CQSZACIVSA-N 0 1 410.499 4.187 20 5 HIBDMN Cc1ccc(NC(=O)[C@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000056196555 850279905 /nfs/dbraw/zinc/27/99/05/850279905.db2.gz SGQQLSVJCWTBGV-OLZOCXBDSA-N 0 1 406.280 4.344 20 5 HIBDMN Cc1c(CN2CCSCC2)cccc1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000061307148 851344414 /nfs/dbraw/zinc/34/44/14/851344414.db2.gz SKJOTHZZIMQTER-UHFFFAOYSA-N 0 1 424.526 4.045 20 5 HIBDMN C[C@@H]1CN(Cc2ccc(CNc3nc4ccc([N+](=O)[O-])cc4s3)cc2)C[C@H](C)O1 ZINC000111193814 853219645 /nfs/dbraw/zinc/21/96/45/853219645.db2.gz YQZZIAXGUHNXQB-GASCZTMLSA-N 0 1 412.515 4.426 20 5 HIBDMN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCCN(Cc2ccccc2)CC1 ZINC000215792202 853837758 /nfs/dbraw/zinc/83/77/58/853837758.db2.gz DLDOPUBCKVJGDQ-UHFFFAOYSA-N 0 1 422.510 4.066 20 5 HIBDMN Cc1nc(-c2ccccc2)sc1[C@H](C)N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000217061064 853859390 /nfs/dbraw/zinc/85/93/90/853859390.db2.gz LSCFVDWPRRJNCH-IFXJQAMLSA-N 0 1 422.510 4.483 20 5 HIBDMN C[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)N1CCCC[C@@H]1C ZINC000237485115 854043517 /nfs/dbraw/zinc/04/35/17/854043517.db2.gz DJLRWXDSVGMZAV-KBPBESRZSA-N 0 1 405.882 4.387 20 5 HIBDMN Cc1ccc(Sc2ccc(CNCc3ccc(C(N)=O)cc3)cc2[N+](=O)[O-])cc1 ZINC000237873167 854112649 /nfs/dbraw/zinc/11/26/49/854112649.db2.gz CTLPVTUKDLGEJH-UHFFFAOYSA-N 0 1 407.495 4.443 20 5 HIBDMN C[N@H+]1CCC[C@@H](CNc2ncc(Br)cc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000301692940 854446285 /nfs/dbraw/zinc/44/62/85/854446285.db2.gz ONGCPZCMBLWIRG-XHDPSFHLSA-N 0 1 411.325 4.309 20 5 HIBDMN CN1CCN(C[C@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c2ccccc2)CC1 ZINC000301813029 854469168 /nfs/dbraw/zinc/46/91/68/854469168.db2.gz FMGGQFHYUAZSNQ-SFHVURJKSA-N 0 1 408.424 4.014 20 5 HIBDMN Cc1cc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302144089 854536743 /nfs/dbraw/zinc/53/67/43/854536743.db2.gz GFWUPVBBGIOAJD-UHFFFAOYSA-N 0 1 410.861 4.067 20 5 HIBDMN Cc1ccc(C(=O)NC2CCN(c3cc(C)nc4ccc([N+](=O)[O-])cc43)CC2)s1 ZINC000302191830 854547307 /nfs/dbraw/zinc/54/73/07/854547307.db2.gz RFOMWFZMNWPTSJ-UHFFFAOYSA-N 0 1 410.499 4.220 20 5 HIBDMN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000302890940 854668439 /nfs/dbraw/zinc/66/84/39/854668439.db2.gz FHEHFXDSJNFKAM-UHFFFAOYSA-N 0 1 422.407 4.353 20 5 HIBDMN O=[N+]([O-])c1cc(CSc2nc(-c3ccc4c(c3)CCC4)n[nH]2)c2c(c1)COCO2 ZINC000303942237 855307748 /nfs/dbraw/zinc/30/77/48/855307748.db2.gz SXLAXWHJPUPUJK-UHFFFAOYSA-N 0 1 410.455 4.027 20 5 HIBDMN Cc1c(NS(=O)(=O)c2ccc(Cl)cc2Br)cccc1[N+](=O)[O-] ZINC000410356525 855946356 /nfs/dbraw/zinc/94/63/56/855946356.db2.gz WKLUWQIEVXMIHB-UHFFFAOYSA-N 0 1 405.657 4.120 20 5 HIBDMN Cc1cccc(-c2cncc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)n[nH]3)c2)c1 ZINC000425915084 855997089 /nfs/dbraw/zinc/99/70/89/855997089.db2.gz COFBYZZBICXZSB-UHFFFAOYSA-N 0 1 400.398 4.003 20 5 HIBDMN COC[C@H](c1ccc(Cl)cc1)N(C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000426511716 856327860 /nfs/dbraw/zinc/32/78/60/856327860.db2.gz UGAWRWSLRXFPKN-HXUWFJFHSA-N 0 1 414.893 4.468 20 5 HIBDMN COc1cc(CN[C@@H](C)[C@H]2OCCc3sccc32)c([N+](=O)[O-])cc1OC(F)F ZINC000429148753 857532362 /nfs/dbraw/zinc/53/23/62/857532362.db2.gz FBYNKUOWEKVATL-DYZYQPBXSA-N 0 1 414.430 4.058 20 5 HIBDMN COc1cc([N+](=O)[O-])ccc1CNC1(c2ccc(Br)cc2)CCOCC1 ZINC000430234745 858092075 /nfs/dbraw/zinc/09/20/75/858092075.db2.gz BSOGULOEFBFCLH-UHFFFAOYSA-N 0 1 421.291 4.161 20 5 HIBDMN CSC1(CN[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 ZINC000432514564 859203831 /nfs/dbraw/zinc/20/38/31/859203831.db2.gz MQJDHTQRNYHCRM-QGZVFWFLSA-N 0 1 405.907 4.413 20 5 HIBDMN CC(C)c1[nH]nc(C(=O)N(C)CC2(c3ccc(Br)cc3)CC2)c1[N+](=O)[O-] ZINC000434243474 860224817 /nfs/dbraw/zinc/22/48/17/860224817.db2.gz DQABPVJMLUENJS-UHFFFAOYSA-N 0 1 421.295 4.008 20 5 HIBDMN Cc1ccc(-c2n[nH]c(NC(=O)Cc3ccc([N+](=O)[O-])cc3Br)c2C)o1 ZINC000434502521 860376978 /nfs/dbraw/zinc/37/69/78/860376978.db2.gz KCNLNKNXIZQBAN-UHFFFAOYSA-N 0 1 419.235 4.138 20 5 HIBDMN Cc1cc(OCC(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)ccc1[N+](=O)[O-] ZINC000435409055 860789943 /nfs/dbraw/zinc/78/99/43/860789943.db2.gz ASFQZAQHXPDBGR-HSZRJFAPSA-N 0 1 416.437 4.064 20 5 HIBDMN Cn1ccnc1-c1cc(NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)[nH]n1 ZINC000435715182 860998571 /nfs/dbraw/zinc/99/85/71/860998571.db2.gz VUHROFAKYINHMX-UHFFFAOYSA-N 0 1 420.454 4.122 20 5 HIBDMN Cc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cnn1C1CCCC1 ZINC000435724462 861008249 /nfs/dbraw/zinc/00/82/49/861008249.db2.gz CHTDNZWSVPJJOU-UHFFFAOYSA-N 0 1 418.397 4.034 20 5 HIBDMN Cc1c(CC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)cccc1[N+](=O)[O-] ZINC000438998906 864455209 /nfs/dbraw/zinc/45/52/09/864455209.db2.gz UOCQRQHZCQLEOU-UHFFFAOYSA-N 0 1 415.921 4.128 20 5 HIBDMN CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000439559149 864884747 /nfs/dbraw/zinc/88/47/47/864884747.db2.gz BPNFUNRQRPMWMZ-STQMWFEESA-N 0 1 419.503 4.073 20 5 HIBDMN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000441295489 866370681 /nfs/dbraw/zinc/37/06/81/866370681.db2.gz KQKJDMRWQXMKIQ-JTAQYXEDSA-N 0 1 423.513 4.332 20 5 HIBDMN COc1cccc([C@@H](CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)N2CCCC2)c1 ZINC000443946307 868482352 /nfs/dbraw/zinc/48/23/52/868482352.db2.gz LPTSMZDEBAFWSO-HXUWFJFHSA-N 0 1 412.490 4.179 20 5 HIBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000443962857 868496147 /nfs/dbraw/zinc/49/61/47/868496147.db2.gz LPPKKWQPCNEGBV-UHFFFAOYSA-N 0 1 400.454 4.137 20 5 HIBDMN C[C@H]1C[C@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CN1Cc1ccccc1 ZINC000444990850 869148290 /nfs/dbraw/zinc/14/82/90/869148290.db2.gz JQJBOVLBLYISRC-HKUYNNGSSA-N 0 1 411.505 4.074 20 5 HIBDMN CCc1ccc([C@@H](N[C@@H]2CCCN(c3cc(C)nn3C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000447549175 871423600 /nfs/dbraw/zinc/42/36/00/871423600.db2.gz DCGWPMIDAPDXGE-JPYJTQIMSA-N 0 1 423.517 4.140 20 5 HIBDMN Cc1c([C@H](C)NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000447556624 871443623 /nfs/dbraw/zinc/44/36/23/871443623.db2.gz IOAUVMSKIUMEQJ-LBPRGKRZSA-N 0 1 416.421 4.176 20 5 HIBDMN CN(C)[C@H]1CCOc2c(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])cccc21 ZINC000447733576 871683003 /nfs/dbraw/zinc/68/30/03/871683003.db2.gz ZPSRFJSCEDFDBQ-HNNXBMFYSA-N 0 1 409.364 4.251 20 5 HIBDMN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000448312988 872247059 /nfs/dbraw/zinc/24/70/59/872247059.db2.gz YMRJFUOYOMJXCA-HNNXBMFYSA-N 0 1 421.419 4.350 20 5 HIBDMN Cc1c(Cl)cc(S(=O)(=O)Nc2cccc3c2CN(C(C)C)C3)cc1[N+](=O)[O-] ZINC000461421885 874450581 /nfs/dbraw/zinc/45/05/81/874450581.db2.gz PHSOHCDDQMZSFL-UHFFFAOYSA-N 0 1 409.895 4.081 20 5 HIBDMN O=C(N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000468769215 882851758 /nfs/dbraw/zinc/85/17/58/882851758.db2.gz AOBNJAVDARYNHD-INIZCTEOSA-N 0 1 413.430 4.370 20 5 HIBDMN CC(C)c1nc(CCNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cs1 ZINC000462162076 875257581 /nfs/dbraw/zinc/25/75/81/875257581.db2.gz FBOMFTYYSGAPTF-UHFFFAOYSA-N 0 1 424.331 4.003 20 5 HIBDMN COc1ccccc1C(C)(C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462284745 875408931 /nfs/dbraw/zinc/40/89/31/875408931.db2.gz CEOMOZIANHZHFV-UHFFFAOYSA-N 0 1 419.286 4.124 20 5 HIBDMN C[C@@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])Cc1cccs1 ZINC000462485253 875595511 /nfs/dbraw/zinc/59/55/11/875595511.db2.gz CLWXGFPOPSKKBV-SECBINFHSA-N 0 1 409.316 4.120 20 5 HIBDMN CCOc1cccc([C@@H](C)NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1 ZINC000462522616 875640271 /nfs/dbraw/zinc/64/02/71/875640271.db2.gz RDIVIOJFMPWKNC-SNVBAGLBSA-N 0 1 419.286 4.340 20 5 HIBDMN COc1ccc(F)cc1[C@@H](C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462551748 875675772 /nfs/dbraw/zinc/67/57/72/875675772.db2.gz ZYAWXVBVAOTZNB-MRVPVSSYSA-N 0 1 423.249 4.089 20 5 HIBDMN CNc1c(C(=O)Nc2cc(Cl)cc(Br)c2O)cccc1[N+](=O)[O-] ZINC000462767274 875827561 /nfs/dbraw/zinc/82/75/61/875827561.db2.gz KQDGRWAIDBJAOB-UHFFFAOYSA-N 0 1 400.616 4.010 20 5 HIBDMN O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CN2CCC(F)(F)[C@H](CO)C2)cc1 ZINC000462863023 875895248 /nfs/dbraw/zinc/89/52/48/875895248.db2.gz XYHJFSFIPHQHEE-AWEZNQCLSA-N 0 1 412.820 4.490 20 5 HIBDMN CN(Cc1ccco1)Cc1ccccc1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000462879278 875907416 /nfs/dbraw/zinc/90/74/16/875907416.db2.gz XDUDHEBPVVBVFN-UHFFFAOYSA-N 0 1 420.469 4.317 20 5 HIBDMN COc1c(-c2nc(-c3ccc4[nH]c(-c5cscn5)nc4c3)no2)cccc1[N+](=O)[O-] ZINC000463179968 876236845 /nfs/dbraw/zinc/23/68/45/876236845.db2.gz BLJCNRSSQHJYLX-UHFFFAOYSA-N 0 1 420.410 4.320 20 5 HIBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000463441111 876499307 /nfs/dbraw/zinc/49/93/07/876499307.db2.gz HXPFRIKWYZJFHJ-HXOBKFHXSA-N 0 1 422.485 4.023 20 5 HIBDMN COc1cc(CNC2(c3ccc4c(c3)OCCO4)CCCC2)c([N+](=O)[O-])cc1F ZINC000464503603 877726701 /nfs/dbraw/zinc/72/67/01/877726701.db2.gz XFPCAUNUHRZTGA-UHFFFAOYSA-N 0 1 402.422 4.073 20 5 HIBDMN O=C(Nc1nc2ccc(Br)cc2[nH]1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000464579196 877802933 /nfs/dbraw/zinc/80/29/33/877802933.db2.gz ZZRWJCUFBXNZLB-UHFFFAOYSA-N 0 1 416.235 4.060 20 5 HIBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC000464581025 877804206 /nfs/dbraw/zinc/80/42/06/877804206.db2.gz MBOQERHHLQDDOX-SECBINFHSA-N 0 1 421.276 4.353 20 5 HIBDMN Cc1ccc2nc(CNC(=O)c3ccc(N4C[C@H](C)C[C@H](C)C4)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000465198129 878601976 /nfs/dbraw/zinc/60/19/76/878601976.db2.gz TXRGRWGYTUWVSC-IYBDPMFKSA-N 0 1 421.501 4.192 20 5 HIBDMN CO[C@@H](CN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C(C)C ZINC000465406922 878841572 /nfs/dbraw/zinc/84/15/72/878841572.db2.gz OJJIORYHFIPJRN-RBUKOAKNSA-N 0 1 405.882 4.189 20 5 HIBDMN O=[N+]([O-])c1ccc(-c2nc(CN3CCC[C@@H](c4ncc5n4CCCC5)C3)co2)cc1 ZINC000503430436 912428127 /nfs/dbraw/zinc/42/81/27/912428127.db2.gz CSRVLBBPZIATKF-QGZVFWFLSA-N 0 1 407.474 4.162 20 5 HIBDMN COc1cc(CN2CCC[C@H](c3nc4ccc(F)cc4o3)C2)c([N+](=O)[O-])cc1F ZINC000466206665 879897843 /nfs/dbraw/zinc/89/78/43/879897843.db2.gz WUXIRRGZIPNCAX-LBPRGKRZSA-N 0 1 403.385 4.402 20 5 HIBDMN COC[C@H]1CCCCN([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000467320742 881068323 /nfs/dbraw/zinc/06/83/23/881068323.db2.gz DMKJMJWEVUJPAR-PGRDOPGGSA-N 0 1 411.502 4.332 20 5 HIBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000469204742 883304132 /nfs/dbraw/zinc/30/41/32/883304132.db2.gz UDDXGCRMMHLINS-MRXNPFEDSA-N 0 1 409.211 4.179 20 5 HIBDMN CCOc1ccc([C@@H](C)N[C@@H](Cn2ccccc2=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000503921407 912865991 /nfs/dbraw/zinc/86/59/91/912865991.db2.gz UXIPBKOBDAZOLE-XLIONFOSSA-N 0 1 407.470 4.247 20 5 HIBDMN COc1cc(CN[C@@H](CO)c2ccsc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000472036462 886856300 /nfs/dbraw/zinc/85/63/00/886856300.db2.gz DYKUEJAWMSGWNZ-IBGZPJMESA-N 0 1 414.483 4.067 20 5 HIBDMN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000504674356 913412925 /nfs/dbraw/zinc/41/29/25/913412925.db2.gz XQOMQAUAAJAKCH-MRXNPFEDSA-N 0 1 412.837 4.402 20 5 HIBDMN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000504674356 913412939 /nfs/dbraw/zinc/41/29/39/913412939.db2.gz XQOMQAUAAJAKCH-MRXNPFEDSA-N 0 1 412.837 4.402 20 5 HIBDMN CCS(=O)(=O)c1ccc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)s1 ZINC000475216486 890084473 /nfs/dbraw/zinc/08/44/73/890084473.db2.gz JHDKFBGTJRAWQR-UHFFFAOYSA-N 0 1 422.553 4.468 20 5 HIBDMN COC(=O)COc1ccc(CN(C)C2c3ccccc3-c3ccccc32)cc1[N+](=O)[O-] ZINC000475715793 890653297 /nfs/dbraw/zinc/65/32/97/890653297.db2.gz NUWKCWXKIHJYMG-UHFFFAOYSA-N 0 1 418.449 4.348 20 5 HIBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCc2cc(-c3ccccc3)oc2C1 ZINC000477071183 892004612 /nfs/dbraw/zinc/00/46/12/892004612.db2.gz VGKDAGJBVHDFDB-UHFFFAOYSA-N 0 1 421.453 4.250 20 5 HIBDMN CCOc1ccc([C@@H](C)N[C@H](C)c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] ZINC000504893219 913622778 /nfs/dbraw/zinc/62/27/78/913622778.db2.gz CYXYNKQKESAAKE-ZIAGYGMSSA-N 0 1 404.463 4.431 20 5 HIBDMN C[C@@H]1CCCCN1CC(=O)Nc1ccc(F)c(NCc2ccc([N+](=O)[O-])cc2F)c1 ZINC000478300823 893519001 /nfs/dbraw/zinc/51/90/01/893519001.db2.gz UXCXZHQTNACJFN-CQSZACIVSA-N 0 1 418.444 4.298 20 5 HIBDMN COc1cc(CNCc2cccc([N+](=O)[O-])c2C)ccc1OCc1c(C)noc1C ZINC000480471988 895853130 /nfs/dbraw/zinc/85/31/30/895853130.db2.gz QTGRVVKMXONSNA-UHFFFAOYSA-N 0 1 411.458 4.385 20 5 HIBDMN Cc1ccc([C@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c2ccccn2)cc1 ZINC000480631652 896000631 /nfs/dbraw/zinc/00/06/31/896000631.db2.gz RWNVGNADJCPUAI-SFHVURJKSA-N 0 1 417.874 4.020 20 5 HIBDMN C[C@@H](NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1 ZINC000480880575 896238445 /nfs/dbraw/zinc/23/84/45/896238445.db2.gz DLKPGWACPDUGIR-QGZVFWFLSA-N 0 1 404.470 4.480 20 5 HIBDMN CCC[C@H](NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1)c1cccc([N+](=O)[O-])c1 ZINC000481551125 896917582 /nfs/dbraw/zinc/91/75/82/896917582.db2.gz XZZQNPYRSCEZKG-VXKWHMMOSA-N 0 1 411.502 4.135 20 5 HIBDMN COc1cc([N+](=O)[O-])ccc1CSc1nc(-c2ccccc2Br)n[nH]1 ZINC000485370637 900667652 /nfs/dbraw/zinc/66/76/52/900667652.db2.gz FRXFYAVEOOWTBX-UHFFFAOYSA-N 0 1 421.276 4.443 20 5 HIBDMN CC[C@H](NCC(=O)Nc1c(C)cccc1[N+](=O)[O-])c1cc(F)cc(Br)c1 ZINC000485808368 901058010 /nfs/dbraw/zinc/05/80/10/901058010.db2.gz YQSUNKJGJGJSMX-HNNXBMFYSA-N 0 1 424.270 4.484 20 5 HIBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(c2c(F)cccc2F)CC1 ZINC000485861756 901103232 /nfs/dbraw/zinc/10/32/32/901103232.db2.gz SOZBGTNBHVTOTF-UHFFFAOYSA-N 0 1 419.428 4.090 20 5 HIBDMN C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000485978120 901195099 /nfs/dbraw/zinc/19/50/99/901195099.db2.gz VOCDUOFXMULUFX-PXAZEXFGSA-N 0 1 407.392 4.296 20 5 HIBDMN C[C@H](N[C@@H](C)c1ccc(Oc2cccnc2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000487845614 902403856 /nfs/dbraw/zinc/40/38/56/902403856.db2.gz XALQYOJUJOIVOR-HOTGVXAUSA-N 0 1 406.442 4.460 20 5 HIBDMN Cc1ccc([C@H](CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)N2CCCC2)o1 ZINC000487946853 902476515 /nfs/dbraw/zinc/47/65/15/902476515.db2.gz ODRGXQKCCODWGH-FQEVSTJZSA-N 0 1 412.490 4.007 20 5 HIBDMN COc1cc(OC)c(OC)cc1CN(Cc1ccc([N+](=O)[O-])c(OC)c1)C(C)(C)C ZINC000489965661 903701485 /nfs/dbraw/zinc/70/14/85/903701485.db2.gz MRBRXPKBBDLYSL-UHFFFAOYSA-N 0 1 418.490 4.430 20 5 HIBDMN CCn1c2ccccc2nc1[C@@H]1CCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000490151290 903794610 /nfs/dbraw/zinc/79/46/10/903794610.db2.gz HJLINVVHVJNCAD-NRFANRHFSA-N 0 1 421.501 4.439 20 5 HIBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000490365486 903957370 /nfs/dbraw/zinc/95/73/70/903957370.db2.gz KJVYUMMBOXUUPQ-STQMWFEESA-N 0 1 418.240 4.429 20 5 HIBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC000490379598 903971754 /nfs/dbraw/zinc/97/17/54/903971754.db2.gz UNBNVWXMSYPZSW-UHFFFAOYSA-N 0 1 417.212 4.420 20 5 HIBDMN CCO[C@H]1C[C@H](N(C)Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C12CCC2 ZINC000490380483 903972058 /nfs/dbraw/zinc/97/20/58/903972058.db2.gz YPBUPMUHSCMOFR-ROUUACIJSA-N 0 1 414.449 4.027 20 5 HIBDMN CCO[C@@H]1C[C@H](N(C)Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C12CCC2 ZINC000490380486 903972270 /nfs/dbraw/zinc/97/22/70/903972270.db2.gz YPBUPMUHSCMOFR-ZWKOTPCHSA-N 0 1 414.449 4.027 20 5 HIBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c(F)c1 ZINC000491143766 904453197 /nfs/dbraw/zinc/45/31/97/904453197.db2.gz YTYQWHZSTWQSPN-HNNXBMFYSA-N 0 1 400.385 4.303 20 5 HIBDMN Cc1cc(C)c(S(=O)(=O)Nc2ccccc2OCc2cscn2)cc1[N+](=O)[O-] ZINC000491721861 904690125 /nfs/dbraw/zinc/69/01/25/904690125.db2.gz URRLDRNJAYUJPK-UHFFFAOYSA-N 0 1 419.484 4.048 20 5 HIBDMN Cc1cc(Br)cn2c(CNC(C)(C)c3ccccc3[N+](=O)[O-])cnc12 ZINC000492196358 904813837 /nfs/dbraw/zinc/81/38/37/904813837.db2.gz YPQGYEWQYVMVLB-UHFFFAOYSA-N 0 1 403.280 4.338 20 5 HIBDMN O=C(NCCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000493134024 905028436 /nfs/dbraw/zinc/02/84/36/905028436.db2.gz YCRNJFOEWIXOND-NRFANRHFSA-N 0 1 409.873 4.357 20 5 HIBDMN O=C(C1CCCCC1)N1CC[C@H](N[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000493299885 905077912 /nfs/dbraw/zinc/07/79/12/905077912.db2.gz BQSOVDRDCLLOPT-JTHBVZDNSA-N 0 1 407.514 4.455 20 5 HIBDMN C[C@H](N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000494464024 905746067 /nfs/dbraw/zinc/74/60/67/905746067.db2.gz IHRYQGRNPYTOHI-UZCIPKQKSA-N 0 1 424.284 4.348 20 5 HIBDMN C[C@H](N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000494464017 905746726 /nfs/dbraw/zinc/74/67/26/905746726.db2.gz IHRYQGRNPYTOHI-FJNPEDAXSA-N 0 1 424.284 4.348 20 5 HIBDMN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](N[C@H]1CCO[C@H]1C1CC1)c1ccccc1 ZINC000494465529 905748921 /nfs/dbraw/zinc/74/89/21/905748921.db2.gz NFTLPUYJHDAZCL-ZCNNSNEGSA-N 0 1 415.877 4.085 20 5 HIBDMN CC(C)C(=O)NC[C@@H]1CCCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000512458323 921174363 /nfs/dbraw/zinc/17/43/63/921174363.db2.gz ZIIRWJFTMGMBPK-FQEVSTJZSA-N 0 1 424.545 4.347 20 5 HIBDMN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCCN(Cc2ccccc2)CC1 ZINC000496464970 906688121 /nfs/dbraw/zinc/68/81/21/906688121.db2.gz HUTKIPNFNMFPAZ-UHFFFAOYSA-N 0 1 422.510 4.066 20 5 HIBDMN Cc1c(CN2CCSCC2)cccc1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000497881537 907355329 /nfs/dbraw/zinc/35/53/29/907355329.db2.gz OBOHTEYURVFNRT-UHFFFAOYSA-N 0 1 405.907 4.358 20 5 HIBDMN COc1cccc([C@H]2[C@@H](NC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CCN2C2CC2)c1 ZINC000498561100 908021464 /nfs/dbraw/zinc/02/14/64/908021464.db2.gz QHRRPEZOPZWCDP-FPOVZHCZSA-N 0 1 410.474 4.011 20 5 HIBDMN CN(C)C(=O)CC1CCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000513346012 921729533 /nfs/dbraw/zinc/72/95/33/921729533.db2.gz PTDKNFWHNTYAJA-UHFFFAOYSA-N 0 1 410.518 4.053 20 5 HIBDMN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000507094148 915866455 /nfs/dbraw/zinc/86/64/55/915866455.db2.gz KLROLBCKPCDPAP-CQSZACIVSA-N 0 1 415.519 4.112 20 5 HIBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)Cc1ccccc1-c1ccccc1 ZINC000507231743 915989962 /nfs/dbraw/zinc/98/99/62/915989962.db2.gz KIJWKOKGHDEJKY-UHFFFAOYSA-N 0 1 405.454 4.341 20 5 HIBDMN CC(C)c1[nH]nc(C(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)c1[N+](=O)[O-] ZINC000507291029 916058435 /nfs/dbraw/zinc/05/84/35/916058435.db2.gz LVLHHDZFNWBGQH-INIZCTEOSA-N 0 1 408.462 4.199 20 5 HIBDMN Cc1ccc(CN2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)cc1[N+](=O)[O-] ZINC000509522228 918170737 /nfs/dbraw/zinc/17/07/37/918170737.db2.gz CDLJFMCNIAJHKL-UHFFFAOYSA-N 0 1 403.866 4.113 20 5 HIBDMN Cc1c(Cl)cc(S(=O)(=O)Nc2ccc3cnn(C(C)C)c3c2)cc1[N+](=O)[O-] ZINC000509614304 918262670 /nfs/dbraw/zinc/26/26/70/918262670.db2.gz RFJKUAQJDZXDLL-UHFFFAOYSA-N 0 1 408.867 4.288 20 5 HIBDMN CCN(CC)[C@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000510476578 918930680 /nfs/dbraw/zinc/93/06/80/918930680.db2.gz WOVSPXJFMBVUEP-IBGZPJMESA-N 0 1 423.435 4.355 20 5 HIBDMN COc1ccc(-c2ccc(CN3CCCN(c4nccs4)CC3)o2)c([N+](=O)[O-])c1 ZINC000511759645 920441174 /nfs/dbraw/zinc/44/11/74/920441174.db2.gz FMSOLFZZEBCNLN-UHFFFAOYSA-N 0 1 414.487 4.032 20 5 HIBDMN COc1ccccc1C[C@@H](C)N(C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000513473311 921832836 /nfs/dbraw/zinc/83/28/36/921832836.db2.gz VSPKXGFJSHKACP-CYBMUJFWSA-N 0 1 410.417 4.276 20 5 HIBDMN CCNc1ccc(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000514472052 922638517 /nfs/dbraw/zinc/63/85/17/922638517.db2.gz ZYMNSQWOHCNVET-LJQANCHMSA-N 0 1 416.547 4.291 20 5 HIBDMN CCNc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000514472051 922638727 /nfs/dbraw/zinc/63/87/27/922638727.db2.gz ZYMNSQWOHCNVET-IBGZPJMESA-N 0 1 416.547 4.291 20 5 HIBDMN O=C(CSc1nc(-c2ccccc2Br)n[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000515309851 923044657 /nfs/dbraw/zinc/04/46/57/923044657.db2.gz LYCXXARCICMBOK-UHFFFAOYSA-N 0 1 419.260 4.117 20 5 HIBDMN COc1ccc(NC(=O)CNC(C)(C)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000516321245 923663465 /nfs/dbraw/zinc/66/34/65/923663465.db2.gz BQRPLXZNZWFQLF-UHFFFAOYSA-N 0 1 411.380 4.086 20 5 HIBDMN CCOc1cccc2cc([C@@H](C)N[C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)oc21 ZINC000520970535 928896090 /nfs/dbraw/zinc/89/60/90/928896090.db2.gz OUNYFIIBZHUZJO-RDTXWAMCSA-N 0 1 409.442 4.196 20 5 HIBDMN CCOc1ccc(C(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)n[nH]2)cc1[N+](=O)[O-] ZINC000521076245 928976365 /nfs/dbraw/zinc/97/63/65/928976365.db2.gz BKEDNKSQQGZIEB-UHFFFAOYSA-N 0 1 409.446 4.328 20 5 HIBDMN CCc1[nH]nc(C(=O)N(C)CCCCCc2cc(-c3ccccc3)no2)c1[N+](=O)[O-] ZINC000521089026 928985412 /nfs/dbraw/zinc/98/54/12/928985412.db2.gz SLRLINCJKBMUNU-UHFFFAOYSA-N 0 1 411.462 4.020 20 5 HIBDMN C[C@H](N[C@H](COCc1ccccc1)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000524888246 929874430 /nfs/dbraw/zinc/87/44/30/929874430.db2.gz PBMQOWHWSHKWFI-FDDCHVKYSA-N 0 1 419.481 4.470 20 5 HIBDMN O=C(N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000525626582 930371221 /nfs/dbraw/zinc/37/12/21/930371221.db2.gz PWPDHSVPDAQZNV-JOCHJYFZSA-N 0 1 411.421 4.472 20 5 HIBDMN CCN(CC)S(=O)(=O)c1ccc([C@H](C)N[C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000525760799 930434456 /nfs/dbraw/zinc/43/44/56/930434456.db2.gz LMKAHFKBRHCUGF-HOTGVXAUSA-N 0 1 405.520 4.037 20 5 HIBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000527289449 930627957 /nfs/dbraw/zinc/62/79/57/930627957.db2.gz YYMFMKVDDGIXFG-XOBRGWDASA-N 0 1 403.429 4.023 20 5 HIBDMN Cc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000530728427 930809804 /nfs/dbraw/zinc/80/98/04/930809804.db2.gz XGTWQRSJGAAALT-CHWSQXEVSA-N 0 1 406.280 4.344 20 5 HIBDMN COc1ccc(CN[C@H](CO)c2ccccc2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531094427 930917536 /nfs/dbraw/zinc/91/75/36/930917536.db2.gz STPHNYQBFBEBFS-JOCHJYFZSA-N 0 1 422.481 4.314 20 5 HIBDMN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)N[C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000532203028 931348544 /nfs/dbraw/zinc/34/85/44/931348544.db2.gz BQEVBVVPTRGSJI-SJORKVTESA-N 0 1 419.547 4.346 20 5 HIBDMN COc1ccc(CN2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)cc1[N+](=O)[O-] ZINC000532690955 931587771 /nfs/dbraw/zinc/58/77/71/931587771.db2.gz LKUPERZWQHTRQC-MRXNPFEDSA-N 0 1 412.421 4.172 20 5 HIBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H](COc3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC000532805811 931634684 /nfs/dbraw/zinc/63/46/84/931634684.db2.gz UKNJRFALMKKQEM-ZDUSSCGKSA-N 0 1 406.870 4.026 20 5 HIBDMN O=C(CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1)Nc1cc(Cl)ccc1Cl ZINC000533242275 931817424 /nfs/dbraw/zinc/81/74/24/931817424.db2.gz JUNICJXMJCFNBB-UHFFFAOYSA-N 0 1 423.300 4.052 20 5 HIBDMN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N(CCN1CCCC1)c1ccccc1 ZINC000533334808 931840879 /nfs/dbraw/zinc/84/08/79/931840879.db2.gz GVXYCXYANAPNNY-UHFFFAOYSA-N 0 1 407.392 4.356 20 5 HIBDMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000534707604 932678773 /nfs/dbraw/zinc/67/87/73/932678773.db2.gz USIXTCAEFWXCPE-UHFFFAOYSA-N 0 1 411.162 4.424 20 5 HIBDMN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000534715644 932684145 /nfs/dbraw/zinc/68/41/45/932684145.db2.gz RWJXDLPEZAOZBR-SFHVURJKSA-N 0 1 413.865 4.214 20 5 HIBDMN CCOc1ccc(C(=O)N2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)cc1[N+](=O)[O-] ZINC000534938012 932847414 /nfs/dbraw/zinc/84/74/14/932847414.db2.gz DQJZVZSECPLREY-INIZCTEOSA-N 0 1 408.458 4.198 20 5 HIBDMN Cc1c(CC(=O)NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000534962369 932862457 /nfs/dbraw/zinc/86/24/57/932862457.db2.gz CTYJOCOAZCGKKT-IIBYNOLFSA-N 0 1 419.884 4.047 20 5 HIBDMN Cc1c(C(=O)NC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000535682028 933334793 /nfs/dbraw/zinc/33/47/93/933334793.db2.gz UPUVLKLUDCSWSP-KUHUBIRLSA-N 0 1 405.857 4.119 20 5 HIBDMN COc1cc(CN2CCC[C@@H]3COCC[C@@H]32)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000535799061 933395503 /nfs/dbraw/zinc/39/55/03/933395503.db2.gz AKTCJCPOCCBKPP-QUCCMNQESA-N 0 1 412.486 4.183 20 5 HIBDMN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000537549006 938320389 /nfs/dbraw/zinc/32/03/89/938320389.db2.gz LTTQRAQFZXBVKQ-OAHLLOKOSA-N 0 1 417.425 4.146 20 5 HIBDMN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000537551215 938321591 /nfs/dbraw/zinc/32/15/91/938321591.db2.gz SHWWZEJXABLWFR-HNNXBMFYSA-N 0 1 422.489 4.262 20 5 HIBDMN COc1cc(CNc2ccc3c(c2)nc(C)n3C)c([N+](=O)[O-])cc1OCC(F)F ZINC000537611579 938332904 /nfs/dbraw/zinc/33/29/04/938332904.db2.gz PKTDRMLPMFJXER-UHFFFAOYSA-N 0 1 406.389 4.055 20 5 HIBDMN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000537918664 938413383 /nfs/dbraw/zinc/41/33/83/938413383.db2.gz CZJUQGCMCFUZFC-IRXDYDNUSA-N 0 1 417.531 4.181 20 5 HIBDMN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000538237068 938569332 /nfs/dbraw/zinc/56/93/32/938569332.db2.gz HWHSLFKFQQWKIJ-INIZCTEOSA-N 0 1 413.543 4.272 20 5 HIBDMN COc1cc([C@H](C)NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])ccc1OCC(C)C ZINC000539269228 938830742 /nfs/dbraw/zinc/83/07/42/938830742.db2.gz CWQRVQHNMWMBOX-INIZCTEOSA-N 0 1 415.490 4.236 20 5 HIBDMN Cc1ccc([C@H](C)NCC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)cc1[N+](=O)[O-] ZINC000539380878 938852155 /nfs/dbraw/zinc/85/21/55/938852155.db2.gz ZBOHPKLOABCBDS-KRWDZBQOSA-N 0 1 418.497 4.351 20 5 HIBDMN O=[N+]([O-])c1ccc(CN[C@@H]2CCCOc3ccc(I)cc32)cc1 ZINC000540191535 939116221 /nfs/dbraw/zinc/11/62/21/939116221.db2.gz UJZGKNVWZPVAEG-MRXNPFEDSA-N 0 1 424.238 4.203 20 5 HIBDMN C[C@H]1CN([C@H](CNCc2csc([N+](=O)[O-])c2)c2c(F)cccc2Cl)CCO1 ZINC000540529974 939291409 /nfs/dbraw/zinc/29/14/09/939291409.db2.gz QDYLFQHUJRXUJR-BLLLJJGKSA-N 0 1 413.902 4.000 20 5 HIBDMN O=C(NCc1ccccc1)[C@@H](Cc1ccccc1)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000540613794 939320453 /nfs/dbraw/zinc/32/04/53/939320453.db2.gz SWRLJINOLWNJIG-DDCFWYMVSA-N 0 1 415.493 4.125 20 5 HIBDMN CC(C)(NCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccs1 ZINC000541643335 939583845 /nfs/dbraw/zinc/58/38/45/939583845.db2.gz TXUQRCLTGVJUQA-UHFFFAOYSA-N 0 1 402.501 4.243 20 5 HIBDMN CCc1ccc([C@@H](NCCc2cccc(C(=O)N(C)C)c2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542472646 939828771 /nfs/dbraw/zinc/82/87/71/939828771.db2.gz MTDDLZIMOUNYGQ-QHCPKHFHSA-N 0 1 421.497 4.374 20 5 HIBDMN CC[C@H](N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)[C@@H]1CCCO1 ZINC000543491758 940082562 /nfs/dbraw/zinc/08/25/62/940082562.db2.gz BJGDHMWEGHXKEB-YSIASYRMSA-N 0 1 417.893 4.475 20 5 HIBDMN C[C@@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1cc(F)c(Cl)cc1Cl ZINC000544120143 940331606 /nfs/dbraw/zinc/33/16/06/940331606.db2.gz NKYIMGYARYYPQJ-MNOVXSKESA-N 0 1 403.237 4.131 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000544384126 940407748 /nfs/dbraw/zinc/40/77/48/940407748.db2.gz CUDFAKXRTMSIBD-GFCCVEGCSA-N 0 1 411.380 4.129 20 5 HIBDMN Cc1cc(CN2CCSCC2)ccc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000544428537 940426295 /nfs/dbraw/zinc/42/62/95/940426295.db2.gz ISSRWGBLDMQIPV-HNNXBMFYSA-N 0 1 417.506 4.333 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000544489798 940455232 /nfs/dbraw/zinc/45/52/32/940455232.db2.gz GGZGWJZMWVJPEA-LBPRGKRZSA-N 0 1 406.508 4.037 20 5 HIBDMN Cc1nn(Cc2ccc(-c3nc(-c4ccc5[nH]cnc5c4)no3)cc2)c(C)c1[N+](=O)[O-] ZINC000545027155 940534857 /nfs/dbraw/zinc/53/48/57/940534857.db2.gz TVBMGJTZNFTWLJ-UHFFFAOYSA-N 0 1 415.413 4.050 20 5 HIBDMN O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)n[nH]1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000546897559 940905412 /nfs/dbraw/zinc/90/54/12/940905412.db2.gz OLIICEMFTYQHSV-UHFFFAOYSA-N 0 1 416.319 4.132 20 5 HIBDMN CN(C)[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1ccc(Cl)cc1 ZINC000547270778 941049517 /nfs/dbraw/zinc/04/95/17/941049517.db2.gz LLZBZCWIUFDGMC-GOSISDBHSA-N 0 1 407.873 4.084 20 5 HIBDMN CC(C)c1[nH]nc(C(=O)N2CC=C(c3cccc(Br)c3)CC2)c1[N+](=O)[O-] ZINC000547273809 941050103 /nfs/dbraw/zinc/05/01/03/941050103.db2.gz BTXBNTVLGKTKMH-UHFFFAOYSA-N 0 1 419.279 4.133 20 5 HIBDMN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549338043 941181093 /nfs/dbraw/zinc/18/10/93/941181093.db2.gz NOADCBJRKWYLJP-ZDUSSCGKSA-N 0 1 405.380 4.387 20 5 HIBDMN NC(=O)C[C@H](NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000550292127 941310266 /nfs/dbraw/zinc/31/02/66/941310266.db2.gz PGYFGXWTLQQKTC-IBGZPJMESA-N 0 1 409.417 4.233 20 5 HIBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000551517126 941493226 /nfs/dbraw/zinc/49/32/26/941493226.db2.gz FMLSMVZEJGEJOM-LBPRGKRZSA-N 0 1 416.421 4.176 20 5 HIBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)c1 ZINC000552290658 941623215 /nfs/dbraw/zinc/62/32/15/941623215.db2.gz PQJFFIDDHUOPBB-UHFFFAOYSA-N 0 1 415.393 4.015 20 5 HIBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(Cc2nnc(-c3ccccc3)[nH]2)no1 ZINC000554808399 942251682 /nfs/dbraw/zinc/25/16/82/942251682.db2.gz PPXAZOFHXZKOQO-HNNXBMFYSA-N 0 1 404.430 4.090 20 5 HIBDMN CC[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000555417030 942522789 /nfs/dbraw/zinc/52/27/89/942522789.db2.gz PUUZBSOEPCLVCO-UHFFFAOYSA-N 0 1 413.522 4.013 20 5 HIBDMN CC[C@H](NCc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000560270046 944214016 /nfs/dbraw/zinc/21/40/16/944214016.db2.gz ZCDMVIPKVORBLA-REWPJTCUSA-N 0 1 422.485 4.061 20 5 HIBDMN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N(c1nccs1)C1CCCCC1 ZINC000561125864 944467574 /nfs/dbraw/zinc/46/75/74/944467574.db2.gz DTPPSFVIDFMISX-GJZGRUSLSA-N 0 1 402.520 4.456 20 5 HIBDMN C[C@@H](Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000021688629 846483337 /nfs/dbraw/zinc/48/33/37/846483337.db2.gz CGDMLRMFUOUGCA-SECBINFHSA-N 0 1 421.841 4.292 20 5 HIBDMN CNc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)cc1[N+](=O)[O-] ZINC000023388800 846693650 /nfs/dbraw/zinc/69/36/50/846693650.db2.gz GMTQOEONKFTFJM-OAQYLSRUSA-N 0 1 401.426 4.032 20 5 HIBDMN CCCCC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000025347813 846965076 /nfs/dbraw/zinc/96/50/76/846965076.db2.gz AHGPFUNXBMKULA-OAHLLOKOSA-N 0 1 419.503 4.094 20 5 HIBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000025461646 846982038 /nfs/dbraw/zinc/98/20/38/846982038.db2.gz NFKPTHSGIHWVGG-INIZCTEOSA-N 0 1 413.543 4.029 20 5 HIBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1nc2ccc(Cl)cc2[nH]1 ZINC000026251255 847112119 /nfs/dbraw/zinc/11/21/19/847112119.db2.gz JWUDZRGSBCNZMV-UHFFFAOYSA-N 0 1 406.851 4.254 20 5 HIBDMN CN(C)[C@@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1cccs1 ZINC000027674960 847335674 /nfs/dbraw/zinc/33/56/74/847335674.db2.gz ZKCJSIKKVFDWGY-FQEVSTJZSA-N 0 1 424.526 4.301 20 5 HIBDMN Cc1c(NC(=O)[C@H](C)Sc2nc(CCC3CCCC3)n[nH]2)cccc1[N+](=O)[O-] ZINC000028778983 847459056 /nfs/dbraw/zinc/45/90/56/847459056.db2.gz MGZGYOBEMVJFRS-ZDUSSCGKSA-N 0 1 403.508 4.263 20 5 HIBDMN Cc1c(NC(=O)[C@H](C)Sc2n[nH]c(CCC3CCCC3)n2)cccc1[N+](=O)[O-] ZINC000028778983 847459060 /nfs/dbraw/zinc/45/90/60/847459060.db2.gz MGZGYOBEMVJFRS-ZDUSSCGKSA-N 0 1 403.508 4.263 20 5 HIBDMN C[C@@H]1CN(Cc2ccc(CNc3ccc([N+](=O)[O-])c4cnccc34)cc2)C[C@@H](C)O1 ZINC000030001637 847667445 /nfs/dbraw/zinc/66/74/45/847667445.db2.gz TYMSWFMKPXQSIV-IAGOWNOFSA-N 0 1 406.486 4.364 20 5 HIBDMN O=[N+]([O-])c1ccc(O)cc1CSc1nnc(-c2cccnc2)n1Cc1ccccc1 ZINC000436475132 861817743 /nfs/dbraw/zinc/81/77/43/861817743.db2.gz NARJGRPQLLROBX-UHFFFAOYSA-N 0 1 419.466 4.295 20 5 HIBDMN COc1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Br ZINC000030509843 847724812 /nfs/dbraw/zinc/72/48/12/847724812.db2.gz ATOKTWQHGDPDBW-NWDGAFQWSA-N 0 1 422.279 4.044 20 5 HIBDMN COc1ccc([C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)N2CCCC2)cc1 ZINC000043343142 848412595 /nfs/dbraw/zinc/41/25/95/848412595.db2.gz RARIMIKDTCFZAA-LJQANCHMSA-N 0 1 418.881 4.215 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000045820541 848734956 /nfs/dbraw/zinc/73/49/56/848734956.db2.gz ZVVSOUWXWYCEEB-RYUDHWBXSA-N 0 1 411.380 4.300 20 5 HIBDMN CC(C)(NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(Br)cc1 ZINC000047258164 849015979 /nfs/dbraw/zinc/01/59/79/849015979.db2.gz WGGKOIZPQMSKEQ-UHFFFAOYSA-N 0 1 407.264 4.249 20 5 HIBDMN COc1cccc(N2C(=O)c3ccccc3N[C@@H]2c2cc(OC)c(O)c([N+](=O)[O-])c2)c1 ZINC000057949469 850747138 /nfs/dbraw/zinc/74/71/38/850747138.db2.gz MFUZMMFYCSWIBG-NRFANRHFSA-N 0 1 421.409 4.089 20 5 HIBDMN COc1ccccc1[C@@H](CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCCC1 ZINC000058853709 850944369 /nfs/dbraw/zinc/94/43/69/850944369.db2.gz SRWMYXWQQPZALP-GOSISDBHSA-N 0 1 418.881 4.215 20 5 HIBDMN CCCCc1nc2ccc(NC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)cc2[nH]1 ZINC000065903930 852310246 /nfs/dbraw/zinc/31/02/46/852310246.db2.gz FXPBNQKBNJIJGO-UHFFFAOYSA-N 0 1 404.430 4.252 20 5 HIBDMN O=C(NC[C@H](c1cccs1)N1CCCC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437163319 862357452 /nfs/dbraw/zinc/35/74/52/862357452.db2.gz MERXYLTVUSHTPL-OAHLLOKOSA-N 0 1 413.421 4.242 20 5 HIBDMN CCOC(=O)c1cc(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)cc([N+](=O)[O-])c1 ZINC000072058566 852490187 /nfs/dbraw/zinc/49/01/87/852490187.db2.gz COFBZLFEOYKGDE-UHFFFAOYSA-N 0 1 408.414 4.168 20 5 HIBDMN O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000097052938 852578548 /nfs/dbraw/zinc/57/85/48/852578548.db2.gz VYLSTXZGBVPKFE-JOCHJYFZSA-N 0 1 418.478 4.469 20 5 HIBDMN Cc1ccc(CN2CCSCC2)cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000109853278 853024086 /nfs/dbraw/zinc/02/40/86/853024086.db2.gz CCBRMJCPBOBKGT-UHFFFAOYSA-N 0 1 405.907 4.358 20 5 HIBDMN O=C(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1cc(F)ccc1[N+](=O)[O-] ZINC000116096574 853282287 /nfs/dbraw/zinc/28/22/87/853282287.db2.gz VRVAIHQDWIDXAH-UHFFFAOYSA-N 0 1 402.451 4.306 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](C)c1ccccc1C(F)(F)F ZINC000140349432 853442579 /nfs/dbraw/zinc/44/25/79/853442579.db2.gz BARHCECFPXMXDZ-RYUDHWBXSA-N 0 1 411.380 4.300 20 5 HIBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1csc(Br)c1 ZINC000166082975 853654051 /nfs/dbraw/zinc/65/40/51/853654051.db2.gz HFYFGNLAOMOHEX-UHFFFAOYSA-N 0 1 412.309 4.188 20 5 HIBDMN Cc1nc(-c2ccccc2)sc1[C@@H](C)N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000217061034 853859557 /nfs/dbraw/zinc/85/95/57/853859557.db2.gz LSCFVDWPRRJNCH-AUUYWEPGSA-N 0 1 422.510 4.483 20 5 HIBDMN Cc1nc(-c2ccccc2)sc1[C@H](C)N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000217061130 853860538 /nfs/dbraw/zinc/86/05/38/853860538.db2.gz LSCFVDWPRRJNCH-LIRRHRJNSA-N 0 1 422.510 4.483 20 5 HIBDMN O=[N+]([O-])c1cccc(-c2nc(CNCCc3ccn(-c4ccc(F)cc4)n3)cs2)c1 ZINC000237716168 854082018 /nfs/dbraw/zinc/08/20/18/854082018.db2.gz JDUZPFDAQCQWHL-UHFFFAOYSA-N 0 1 423.473 4.375 20 5 HIBDMN C[C@@H](NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C(=O)N1CCCC[C@@H]1C ZINC000237781077 854095828 /nfs/dbraw/zinc/09/58/28/854095828.db2.gz DJNHLNIBWQBAJC-JKSUJKDBSA-N 0 1 415.465 4.405 20 5 HIBDMN O=[N+]([O-])c1cc(CNCc2ccnc(-n3cccn3)c2)ccc1Oc1ccc(F)cc1 ZINC000237883360 854114837 /nfs/dbraw/zinc/11/48/37/854114837.db2.gz GEKDTSHXZBNHLA-UHFFFAOYSA-N 0 1 419.416 4.397 20 5 HIBDMN COc1ccccc1NC(=O)C1CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000302142106 854536605 /nfs/dbraw/zinc/53/66/05/854536605.db2.gz FTAAFOSUOQEHBS-UHFFFAOYSA-N 0 1 420.469 4.315 20 5 HIBDMN Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2Br)cc1[N+](=O)[O-] ZINC000410359252 855948965 /nfs/dbraw/zinc/94/89/65/855948965.db2.gz MMJGBVZCCCDQBX-UHFFFAOYSA-N 0 1 405.657 4.120 20 5 HIBDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])n[nH]1 ZINC000427432334 856817484 /nfs/dbraw/zinc/81/74/84/856817484.db2.gz SRPBCSNKUGVPLX-CABCVRRESA-N 0 1 423.473 4.296 20 5 HIBDMN COc1cc(CN2CCC[C@@H](CSC)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000430202874 858079997 /nfs/dbraw/zinc/07/99/97/858079997.db2.gz YSTBHEKYXAOEEP-GFCCVEGCSA-N 0 1 408.442 4.120 20 5 HIBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000430201529 858080093 /nfs/dbraw/zinc/08/00/93/858080093.db2.gz KMMRUHPKDKMFJW-UHFFFAOYSA-N 0 1 423.513 4.007 20 5 HIBDMN CC1(C)C[C@H](NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433168083 859550552 /nfs/dbraw/zinc/55/05/52/859550552.db2.gz QGCACTVPSFXKTJ-SFTDATJTSA-N 0 1 409.486 4.225 20 5 HIBDMN Cc1ccc(S(=O)(=O)C[C@@H](C)N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000433239774 859585698 /nfs/dbraw/zinc/58/56/98/859585698.db2.gz LVYBVFRWHIJZRC-QRWLVFNGSA-N 0 1 402.516 4.078 20 5 HIBDMN COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000434794490 860496760 /nfs/dbraw/zinc/49/67/60/860496760.db2.gz NUNKXPHQXRCZEJ-PMACEKPBSA-N 0 1 421.453 4.171 20 5 HIBDMN CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000434988454 860587349 /nfs/dbraw/zinc/58/73/49/860587349.db2.gz SHINTVCGXGSIFW-QGZVFWFLSA-N 0 1 417.893 4.389 20 5 HIBDMN COC(=O)c1ccc(COc2ccccc2CNCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000437787621 863105579 /nfs/dbraw/zinc/10/55/79/863105579.db2.gz RJVQQPDQOJCPFR-UHFFFAOYSA-N 0 1 406.438 4.250 20 5 HIBDMN O=C(CCN1CCc2ccc([N+](=O)[O-])cc2C1)N[C@H](c1cccs1)c1ccccc1 ZINC000438528066 863954217 /nfs/dbraw/zinc/95/42/17/863954217.db2.gz LKGYWCGXIYMZBT-QHCPKHFHSA-N 0 1 421.522 4.310 20 5 HIBDMN COc1ccc(Cl)c(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1 ZINC000438811004 864302403 /nfs/dbraw/zinc/30/24/03/864302403.db2.gz CODKPTAQUCDBHU-UHFFFAOYSA-N 0 1 411.650 4.364 20 5 HIBDMN Cc1c(CC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)cccc1[N+](=O)[O-] ZINC000439048993 864499774 /nfs/dbraw/zinc/49/97/74/864499774.db2.gz GQBCPHWZOSCAQA-FQEVSTJZSA-N 0 1 401.894 4.052 20 5 HIBDMN O=[N+]([O-])c1cccc(Cl)c1CN[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000439437459 864831347 /nfs/dbraw/zinc/83/13/47/864831347.db2.gz KNQVPSBIVJBKOR-HNNXBMFYSA-N 0 1 411.771 4.264 20 5 HIBDMN CO[C@@H](C)c1nc(CN2CCCN([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)cs1 ZINC000468250671 882154324 /nfs/dbraw/zinc/15/43/24/882154324.db2.gz LPSPEKKGMCYRNP-HOTGVXAUSA-N 0 1 404.536 4.028 20 5 HIBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](Oc2ccccc2Cl)C1 ZINC000443641466 868224857 /nfs/dbraw/zinc/22/48/57/868224857.db2.gz PRDUEMQKZKTZGY-INIZCTEOSA-N 0 1 403.866 4.039 20 5 HIBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)n2)cc1 ZINC000444003822 868526939 /nfs/dbraw/zinc/52/69/39/868526939.db2.gz KDPFUXVIWMUQMO-UHFFFAOYSA-N 0 1 413.412 4.166 20 5 HIBDMN CCc1[nH]nc(C(=O)N(CC)[C@H](c2ccc(CC)cc2)c2cccnc2)c1[N+](=O)[O-] ZINC000444263191 868704284 /nfs/dbraw/zinc/70/42/84/868704284.db2.gz DJYOSUXIXIRGMT-HXUWFJFHSA-N 0 1 407.474 4.089 20 5 HIBDMN Cc1[nH]nc2cc(NC(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)ccc12 ZINC000444289407 868719668 /nfs/dbraw/zinc/71/96/68/868719668.db2.gz PVNIMQZZYNYVQZ-UHFFFAOYSA-N 0 1 404.376 4.397 20 5 HIBDMN O=C(Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000444512955 868864814 /nfs/dbraw/zinc/86/48/14/868864814.db2.gz MMAAMLDZZWITRU-UHFFFAOYSA-N 0 1 406.263 4.215 20 5 HIBDMN C[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(OCc2ccccc2)c1 ZINC000444719739 868975094 /nfs/dbraw/zinc/97/50/94/868975094.db2.gz RMOJWLLTWIUDNW-QGZVFWFLSA-N 0 1 405.454 4.463 20 5 HIBDMN CCc1ccc([C@H](N[C@H]2CCCN(c3cc(C)nn3C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000447549174 871424047 /nfs/dbraw/zinc/42/40/47/871424047.db2.gz DCGWPMIDAPDXGE-FDDCHVKYSA-N 0 1 423.517 4.140 20 5 HIBDMN CN(C)[C@@H](CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])c1ccsc1 ZINC000447674400 871606232 /nfs/dbraw/zinc/60/62/32/871606232.db2.gz CFBWPSVDCPOKOC-NSHDSACASA-N 0 1 410.368 4.420 20 5 HIBDMN CN(C)[C@@H]1CCOc2c(NC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])cccc21 ZINC000447723275 871668926 /nfs/dbraw/zinc/66/89/26/871668926.db2.gz OARPNACFSXYFMA-OAHLLOKOSA-N 0 1 421.906 4.364 20 5 HIBDMN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc2c1OCC[C@H]2N(C)C ZINC000447726382 871674068 /nfs/dbraw/zinc/67/40/68/871674068.db2.gz GOAQLHCZSDPEDM-BLLLJJGKSA-N 0 1 419.865 4.039 20 5 HIBDMN Cc1ccc(C(C)C)c(Oc2ccc(CN[C@@H](CO)[C@H]3CCCO3)cc2[N+](=O)[O-])c1 ZINC000447983798 871834861 /nfs/dbraw/zinc/83/48/61/871834861.db2.gz UFOBIZUHTQGXSD-PZJWPPBQSA-N 0 1 414.502 4.448 20 5 HIBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1cn2cc(Br)ccc2n1 ZINC000468653259 882790200 /nfs/dbraw/zinc/79/02/00/882790200.db2.gz OHNBSIQYWSLUJJ-QPEQYQDCSA-N 0 1 401.264 4.198 20 5 HIBDMN C[C@@H]1CN(Cc2ccc(CNc3ccc([N+](=O)[O-])c(OC(F)F)c3)cc2)C[C@@H](C)O1 ZINC000462086219 875195039 /nfs/dbraw/zinc/19/50/39/875195039.db2.gz DZDXSASFPDZBBV-HUUCEWRRSA-N 0 1 421.444 4.418 20 5 HIBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000462131620 875232248 /nfs/dbraw/zinc/23/22/48/875232248.db2.gz RWXCABRUYJVFMO-PRHODGIISA-N 0 1 423.224 4.014 20 5 HIBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@H](C)c1ccc(Br)cc1OCCCO ZINC000463027929 876046707 /nfs/dbraw/zinc/04/67/07/876046707.db2.gz HZOKAIFFNIKUHL-CQSZACIVSA-N 0 1 423.307 4.278 20 5 HIBDMN COc1ccccc1[C@H](CNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)N1CCCC1 ZINC000463971527 877097952 /nfs/dbraw/zinc/09/79/52/877097952.db2.gz CUOAGKAUZWWIJE-FQEVSTJZSA-N 0 1 412.490 4.179 20 5 HIBDMN COc1cc(CN(C)CCCc2cc(-c3cccc(F)c3)n[nH]2)c([N+](=O)[O-])cc1F ZINC000464680099 877896681 /nfs/dbraw/zinc/89/66/81/877896681.db2.gz LZOWAEBNDKWMAB-UHFFFAOYSA-N 0 1 416.428 4.336 20 5 HIBDMN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(N2CCCC[C@H]2C)cc1C ZINC000467427860 881218799 /nfs/dbraw/zinc/21/87/99/881218799.db2.gz FIEHGDOJCSICBU-OAHLLOKOSA-N 0 1 419.503 4.091 20 5 HIBDMN CCC(O)(CC)CCN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000471561638 886269176 /nfs/dbraw/zinc/26/91/76/886269176.db2.gz AJUSHMCPHBZYIA-IBGZPJMESA-N 0 1 419.909 4.459 20 5 HIBDMN CSc1cccc(C)c1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000471961957 886785705 /nfs/dbraw/zinc/78/57/05/886785705.db2.gz YKVBAQHUYVHASP-UHFFFAOYSA-N 0 1 417.306 4.188 20 5 HIBDMN CC(C)(NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(OC(F)(F)F)cc1 ZINC000473997305 888856994 /nfs/dbraw/zinc/85/69/94/888856994.db2.gz VDEZEOPGZVFQBD-UHFFFAOYSA-N 0 1 412.364 4.385 20 5 HIBDMN COC(=O)COc1ccc(CN[C@@H]2CCSc3ccc(Cl)cc32)cc1[N+](=O)[O-] ZINC000474359826 889239119 /nfs/dbraw/zinc/23/91/19/889239119.db2.gz FINONMWFNZHMRC-OAHLLOKOSA-N 0 1 422.890 4.127 20 5 HIBDMN O=C(NCc1n[nH]c(COc2ccccc2)n1)c1cc2ccccc2c2cccnc12 ZINC000474586431 889455890 /nfs/dbraw/zinc/45/58/90/889455890.db2.gz OTRUCEXDXQHSGH-UHFFFAOYSA-N 0 1 409.449 4.015 20 5 HIBDMN COc1cc(CNCc2c(C)c3ccccc3n2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000475193240 890062934 /nfs/dbraw/zinc/06/29/34/890062934.db2.gz BODULINOQBHYOF-UHFFFAOYSA-N 0 1 419.428 4.337 20 5 HIBDMN Cc1ccc([C@@H](N[C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccn2)cc1 ZINC000475338988 890260136 /nfs/dbraw/zinc/26/01/36/890260136.db2.gz PHOHXQQMVHIBSJ-UZUQRXQVSA-N 0 1 404.470 4.395 20 5 HIBDMN CCOc1ccc([C@H](C)N[C@@H](C)c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] ZINC000504893214 913622746 /nfs/dbraw/zinc/62/27/46/913622746.db2.gz CYXYNKQKESAAKE-KBPBESRZSA-N 0 1 404.463 4.431 20 5 HIBDMN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000477610319 892699783 /nfs/dbraw/zinc/69/97/83/892699783.db2.gz QGQJBBVWPSKYSV-UHFFFAOYSA-N 0 1 405.907 4.358 20 5 HIBDMN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000477612680 892705453 /nfs/dbraw/zinc/70/54/53/892705453.db2.gz LRAWHNPPQLPHNJ-UHFFFAOYSA-N 0 1 409.780 4.426 20 5 HIBDMN Cc1cc2[nH]ncc2cc1NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000481358448 896736997 /nfs/dbraw/zinc/73/69/97/896736997.db2.gz HWSSALFPTYEHSM-UHFFFAOYSA-N 0 1 404.376 4.397 20 5 HIBDMN CO[C@H](c1ccccc1Cl)[C@@H](C)NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000481394046 896800941 /nfs/dbraw/zinc/80/09/41/896800941.db2.gz UDOJAKMVCDRBPD-ZMZPIMSZSA-N 0 1 412.273 4.206 20 5 HIBDMN CCC[C@H](NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000481583827 896962679 /nfs/dbraw/zinc/96/26/79/896962679.db2.gz QXFVDYIBRHHRRG-NRFANRHFSA-N 0 1 419.547 4.255 20 5 HIBDMN CNC(=O)C[C@@H](NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000481813129 897187749 /nfs/dbraw/zinc/18/77/49/897187749.db2.gz HFAHVJNNYJZBGQ-OAQYLSRUSA-N 0 1 418.497 4.330 20 5 HIBDMN CCCN(Cc1ccccc1Br)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000481871263 897241594 /nfs/dbraw/zinc/24/15/94/897241594.db2.gz LLCWHLJEXLFOQO-UHFFFAOYSA-N 0 1 417.263 4.286 20 5 HIBDMN CCC[C@H](N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000482264823 897750876 /nfs/dbraw/zinc/75/08/76/897750876.db2.gz NJOCXTYUAXPAPB-YWZLYKJASA-N 0 1 405.520 4.037 20 5 HIBDMN COc1ccc(-c2ccc(CN3CC(C)(C)O[C@]4(CCCOC4)C3)o2)c([N+](=O)[O-])c1 ZINC000482447346 898012389 /nfs/dbraw/zinc/01/23/89/898012389.db2.gz DXSCPIXRQGDPPT-JOCHJYFZSA-N 0 1 416.474 4.023 20 5 HIBDMN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505556542 914258066 /nfs/dbraw/zinc/25/80/66/914258066.db2.gz BFVNKBASVRQGLN-UHFFFAOYSA-N 0 1 404.382 4.105 20 5 HIBDMN C[C@@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)[C@H](c1ccccc1)N(C)C ZINC000505592066 914299811 /nfs/dbraw/zinc/29/98/11/914299811.db2.gz QSVNECRZIPSJFJ-IQMFZBJNSA-N 0 1 417.484 4.242 20 5 HIBDMN C[C@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000483710564 899367250 /nfs/dbraw/zinc/36/72/50/899367250.db2.gz IABGUPZXHXGJDQ-SCLBCKFNSA-N 0 1 405.401 4.042 20 5 HIBDMN O=C(CN[C@@H]1CCCc2c(O)cccc21)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000484330838 899883899 /nfs/dbraw/zinc/88/38/99/899883899.db2.gz 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0 1 421.856 4.047 20 5 HIBDMN O=[N+]([O-])c1ccc(-c2noc(CSc3nc(-c4ccc(Cl)cc4)n[nH]3)n2)cc1 ZINC000059017330 850980761 /nfs/dbraw/zinc/98/07/61/850980761.db2.gz MAGDCMFZVZGYHO-UHFFFAOYSA-N 0 1 414.834 4.376 20 5 HIBDMN CCOc1ccc(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000060509896 851127435 /nfs/dbraw/zinc/12/74/35/851127435.db2.gz XEERVKABEVQGML-GOSISDBHSA-N 0 1 417.531 4.258 20 5 HIBDMN CCNc1ccc(C(=O)Nc2cccc(CN3CCSCC3)c2C)cc1[N+](=O)[O-] ZINC000061308879 851345392 /nfs/dbraw/zinc/34/53/92/851345392.db2.gz DCJDDFZWAWEGEQ-UHFFFAOYSA-N 0 1 414.531 4.136 20 5 HIBDMN C[C@@H]1CN(Cc2ccc(CNc3ccc([N+](=O)[O-])c4cccnc34)cc2)C[C@@H](C)O1 ZINC000071952671 852443535 /nfs/dbraw/zinc/44/35/35/852443535.db2.gz XFKOAZHYGRMTNE-IAGOWNOFSA-N 0 1 406.486 4.364 20 5 HIBDMN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](NC[C@H]1CCCCO1)c1ccccc1 ZINC000141353014 853468879 /nfs/dbraw/zinc/46/88/79/853468879.db2.gz LQWYNULSFFNNOL-APWZRJJASA-N 0 1 403.866 4.087 20 5 HIBDMN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000213223569 853824760 /nfs/dbraw/zinc/82/47/60/853824760.db2.gz ZDRJJIAQHXOUAL-RAXLEYEMSA-N 0 1 401.466 4.106 20 5 HIBDMN C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1cc2ccccc2o1 ZINC000216684525 853857825 /nfs/dbraw/zinc/85/78/25/853857825.db2.gz NYQYBBPHRRCPSP-NSHDSACASA-N 0 1 418.247 4.393 20 5 HIBDMN CCOc1cccc2cc([C@@H](C)NCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])oc21 ZINC000216756348 853858529 /nfs/dbraw/zinc/85/85/29/853858529.db2.gz DPUHBJOACZTTAF-CYBMUJFWSA-N 0 1 413.430 4.038 20 5 HIBDMN CC(C)N1CC[C@H](NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1=O ZINC000236616809 853902558 /nfs/dbraw/zinc/90/25/58/853902558.db2.gz BSHAKBVSBCKPRH-INIZCTEOSA-N 0 1 403.866 4.139 20 5 HIBDMN CC[C@@H](C)NC(=O)[C@@H](C)NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000236882496 853931855 /nfs/dbraw/zinc/93/18/55/853931855.db2.gz DJWBQAUDOMRDFI-ZIAGYGMSSA-N 0 1 405.882 4.433 20 5 HIBDMN CC[C@H](NCc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1OCC(=O)N1CCCC1 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HNGPTLHVMNXVKK-GOSISDBHSA-N 0 1 408.424 4.014 20 5 HIBDMN C[C@H]1CCCCN1Cc1ccccc1CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000301936091 854497728 /nfs/dbraw/zinc/49/77/28/854497728.db2.gz PUMGMASZINKYNQ-AWEZNQCLSA-N 0 1 423.560 4.046 20 5 HIBDMN Cc1cc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302158914 854539979 /nfs/dbraw/zinc/53/99/79/854539979.db2.gz JHISOOYLRWOOHD-UHFFFAOYSA-N 0 1 410.861 4.067 20 5 HIBDMN Cc1cc(N2CCC(N(C)C(=O)OC(C)(C)C)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302181964 854545332 /nfs/dbraw/zinc/54/53/32/854545332.db2.gz OCXLQVKQNLVGRF-UHFFFAOYSA-N 0 1 400.479 4.287 20 5 HIBDMN Cc1cc(N2CCC(CNC(=O)OC(C)(C)C)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302188977 854545877 /nfs/dbraw/zinc/54/58/77/854545877.db2.gz QKJVTBGHBFQTED-UHFFFAOYSA-N 0 1 400.479 4.193 20 5 HIBDMN Cc1cc(N2CCC[C@H](c3nnc4n3CCCCC4)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302204994 854549984 /nfs/dbraw/zinc/54/99/84/854549984.db2.gz WNTFTDMZNSUIRE-INIZCTEOSA-N 0 1 406.490 4.153 20 5 HIBDMN Cc1cc(NCc2cccc(NC(=O)[C@H]3CCCO3)c2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302203401 854550128 /nfs/dbraw/zinc/55/01/28/854550128.db2.gz VYVFMOQJYBAORM-OAQYLSRUSA-N 0 1 406.442 4.181 20 5 HIBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000303333533 854878225 /nfs/dbraw/zinc/87/82/25/854878225.db2.gz DDHHAJALKLQVOZ-CQSZACIVSA-N 0 1 418.457 4.462 20 5 HIBDMN CCc1[nH]nc(C(=O)N2CCC(F)(c3ccccc3C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000410107722 855823483 /nfs/dbraw/zinc/82/34/83/855823483.db2.gz WHXSYFWPIVMZMU-UHFFFAOYSA-N 0 1 414.359 4.000 20 5 HIBDMN COc1cc(C(=O)Nc2ccc3nc(-c4ccccc4)[nH]c3c2)c([N+](=O)[O-])cc1OC ZINC000427792965 856957117 /nfs/dbraw/zinc/95/71/17/856957117.db2.gz BOKPQAWGLINREA-UHFFFAOYSA-N 0 1 418.409 4.408 20 5 HIBDMN C[C@]1(CNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)CCC[N@H+]1Cc1ccccc1 ZINC000428322364 857152341 /nfs/dbraw/zinc/15/23/41/857152341.db2.gz DSFZJUMJJNJUCP-HXUWFJFHSA-N 0 1 421.419 4.398 20 5 HIBDMN COc1cc(CN[C@H](C)[C@H]2OCCc3sccc32)c([N+](=O)[O-])cc1OC(F)F ZINC000429148751 857531290 /nfs/dbraw/zinc/53/12/90/857531290.db2.gz FBYNKUOWEKVATL-BMLIUANNSA-N 0 1 414.430 4.058 20 5 HIBDMN C[C@@H](N[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccc(O)c1 ZINC000429282544 857590454 /nfs/dbraw/zinc/59/04/54/857590454.db2.gz CHEITSITMHGGLD-OLZOCXBDSA-N 0 1 412.471 4.102 20 5 HIBDMN CC(C)(C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000429848443 857909334 /nfs/dbraw/zinc/90/93/34/857909334.db2.gz ICLZTOVQLPSTAA-UHFFFAOYSA-N 0 1 415.921 4.307 20 5 HIBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC4(CC3)CCS(=O)(=O)CC4)s2)cc1 ZINC000430201502 858080253 /nfs/dbraw/zinc/08/02/53/858080253.db2.gz KAYYKEAANJCKON-UHFFFAOYSA-N 0 1 420.556 4.114 20 5 HIBDMN C[C@@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000430765874 858296076 /nfs/dbraw/zinc/29/60/76/858296076.db2.gz TVCZTNACTANBOB-ZOCZFRKYSA-N 0 1 402.516 4.482 20 5 HIBDMN O=C(NC[C@H](c1ccco1)N1CCCCC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437674801 863016360 /nfs/dbraw/zinc/01/63/60/863016360.db2.gz MXDMMBDUIXFKJX-HXUWFJFHSA-N 0 1 412.490 4.089 20 5 HIBDMN COc1ccccc1-c1noc(C2CCN(Cc3cccc([N+](=O)[O-])c3C)CC2)n1 ZINC000433168683 859551538 /nfs/dbraw/zinc/55/15/38/859551538.db2.gz OAYHQCOMBCRXGE-UHFFFAOYSA-N 0 1 408.458 4.341 20 5 HIBDMN COc1ccc(CN(Cc2ccccc2)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cc1 ZINC000434224713 860209210 /nfs/dbraw/zinc/20/92/10/860209210.db2.gz CRXGTFOVZYTUST-UHFFFAOYSA-N 0 1 408.458 4.293 20 5 HIBDMN CC(C)c1[nH]nc(C(=O)Nc2ccccc2-c2nc(-c3ccccc3)n[nH]2)c1[N+](=O)[O-] ZINC000434226601 860212027 /nfs/dbraw/zinc/21/20/27/860212027.db2.gz SNWOIYMAZQCFPN-UHFFFAOYSA-N 0 1 417.429 4.146 20 5 HIBDMN CC(C)(c1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1)C(F)(F)F ZINC000434514681 860382681 /nfs/dbraw/zinc/38/26/81/860382681.db2.gz SCDDTLWACVTXFD-UHFFFAOYSA-N 0 1 419.363 4.472 20 5 HIBDMN COc1ccc(C)cc1NC(=O)[C@@H](NCCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000467984623 881833670 /nfs/dbraw/zinc/83/36/70/881833670.db2.gz PTNYYVQXKMEMDP-QHCPKHFHSA-N 0 1 419.481 4.424 20 5 HIBDMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000439764062 865088198 /nfs/dbraw/zinc/08/81/98/865088198.db2.gz BNLXIKXDXYRLTI-INIZCTEOSA-N 0 1 410.518 4.243 20 5 HIBDMN O=[N+]([O-])c1ccc(OCCN2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)cc1 ZINC000441065030 866149560 /nfs/dbraw/zinc/14/95/60/866149560.db2.gz NYIVXUDHMQXHLV-LBPRGKRZSA-N 0 1 401.410 4.329 20 5 HIBDMN O=[N+]([O-])c1cccc(OCCN2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c1 ZINC000441100722 866196532 /nfs/dbraw/zinc/19/65/32/866196532.db2.gz ZQFGBROJPQATGL-LBPRGKRZSA-N 0 1 401.410 4.329 20 5 HIBDMN COc1ccc(OCCN(C)Cc2c(C)nn(-c3ccccc3C)c2C)c([N+](=O)[O-])c1 ZINC000441236506 866311371 /nfs/dbraw/zinc/31/13/71/866311371.db2.gz ZHWABECLSCHRMA-UHFFFAOYSA-N 0 1 424.501 4.225 20 5 HIBDMN Cc1cc(N2CC[NH+]=C2[O-])ccc1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000441372958 866441413 /nfs/dbraw/zinc/44/14/13/866441413.db2.gz ZGKICKFQDLNEDB-UHFFFAOYSA-N 0 1 409.471 4.168 20 5 HIBDMN CCN(C(=O)[C@H](C)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CCCCC1 ZINC000441815152 866876899 /nfs/dbraw/zinc/87/68/99/866876899.db2.gz QSZUFWPUPYYEDY-KRWDZBQOSA-N 0 1 403.523 4.008 20 5 HIBDMN C[C@@H]1C[C@@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CN1Cc1ccccc1 ZINC000444222767 868674663 /nfs/dbraw/zinc/67/46/63/868674663.db2.gz GKTBDKFBHCWMPW-YLJYHZDGSA-N 0 1 411.505 4.074 20 5 HIBDMN CN(C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000444232513 868681800 /nfs/dbraw/zinc/68/18/00/868681800.db2.gz AQYUYBPKFVQUCW-FQEVSTJZSA-N 0 1 411.505 4.028 20 5 HIBDMN CCc1[nH]nc(C(=O)N(CC)[C@H](c2ccc(Cl)cc2)c2cccnc2)c1[N+](=O)[O-] ZINC000444271061 868707767 /nfs/dbraw/zinc/70/77/67/868707767.db2.gz TZAVHSMAXOCMBU-GOSISDBHSA-N 0 1 413.865 4.180 20 5 HIBDMN Cc1cc(C2CCN(C(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)CC2)n[nH]1 ZINC000444296912 868726805 /nfs/dbraw/zinc/72/68/05/868726805.db2.gz ZHLXYWIRPTVKLE-UHFFFAOYSA-N 0 1 422.435 4.011 20 5 HIBDMN O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444825991 869035105 /nfs/dbraw/zinc/03/51/05/869035105.db2.gz GCULUXXMCRDQQV-UHFFFAOYSA-N 0 1 411.505 4.076 20 5 HIBDMN COc1ccccc1[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1C)N1CCCCC1 ZINC000446499980 870418357 /nfs/dbraw/zinc/41/83/57/870418357.db2.gz UCJLHWRJDDLLBR-HXUWFJFHSA-N 0 1 412.490 4.261 20 5 HIBDMN CCOC(=O)[C@]1(C(C)C)CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000446890754 870809592 /nfs/dbraw/zinc/80/95/92/870809592.db2.gz OYKSRFHJMODWDL-HXUWFJFHSA-N 0 1 403.504 4.130 20 5 HIBDMN O=C(Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000447692153 871627403 /nfs/dbraw/zinc/62/74/03/871627403.db2.gz ZBXVLYGOMLUKLZ-UHFFFAOYSA-N 0 1 421.196 4.442 20 5 HIBDMN CN(C)[C@@H]1CCOc2c(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)cccc21 ZINC000447722897 871665522 /nfs/dbraw/zinc/66/55/22/871665522.db2.gz LWAZJYQLVQLKBX-JOCHJYFZSA-N 0 1 413.477 4.319 20 5 HIBDMN Cc1ccc(C(C)C)c(Oc2ccc(CN[C@@H](CO)[C@@H]3CCCO3)cc2[N+](=O)[O-])c1 ZINC000447983797 871834648 /nfs/dbraw/zinc/83/46/48/871834648.db2.gz UFOBIZUHTQGXSD-FPOVZHCZSA-N 0 1 414.502 4.448 20 5 HIBDMN O=C(Nc1nnc(-c2ccsc2)s1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000448197275 872082956 /nfs/dbraw/zinc/08/29/56/872082956.db2.gz NJRFAJOJIIZRIP-UHFFFAOYSA-N 0 1 400.363 4.446 20 5 HIBDMN CO[C@](C)(CN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C1CC1 ZINC000461063299 873942095 /nfs/dbraw/zinc/94/20/95/873942095.db2.gz VTEOWINVOUUUGE-TZIWHRDSSA-N 0 1 417.893 4.333 20 5 HIBDMN CO[C@@](C)(CN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C1CC1 ZINC000461063295 873942835 /nfs/dbraw/zinc/94/28/35/873942835.db2.gz VTEOWINVOUUUGE-CTNGQTDRSA-N 0 1 417.893 4.333 20 5 HIBDMN Cc1cc(C)c(Br)c(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1 ZINC000461871136 875022216 /nfs/dbraw/zinc/02/22/16/875022216.db2.gz KQPCINNPDNHXDV-UHFFFAOYSA-N 0 1 416.235 4.012 20 5 HIBDMN Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)cc1Br ZINC000462354566 875467958 /nfs/dbraw/zinc/46/79/58/875467958.db2.gz AEWAKORYNPIFGY-UHFFFAOYSA-N 0 1 422.260 4.015 20 5 HIBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c2cccnc21 ZINC000462362116 875475053 /nfs/dbraw/zinc/47/50/53/875475053.db2.gz VDMGBGWBHUYUIF-UHFFFAOYSA-N 0 1 412.254 4.392 20 5 HIBDMN COc1cccc(F)c1[C@H](C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462399358 875507311 /nfs/dbraw/zinc/50/73/11/875507311.db2.gz VHFFJTXEELDCLS-QMMMGPOBSA-N 0 1 423.249 4.089 20 5 HIBDMN CCOc1ccccc1[C@@H](C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462536668 875655788 /nfs/dbraw/zinc/65/57/88/875655788.db2.gz MEWRSCFDJGIUSL-SNVBAGLBSA-N 0 1 419.286 4.340 20 5 HIBDMN O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CN2CCC(F)(F)[C@@H](CO)C2)cc1 ZINC000462863029 875895214 /nfs/dbraw/zinc/89/52/14/875895214.db2.gz XYHJFSFIPHQHEE-CQSZACIVSA-N 0 1 412.820 4.490 20 5 HIBDMN CN(Cc1ccco1)Cc1ccccc1CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000462872383 875902586 /nfs/dbraw/zinc/90/25/86/875902586.db2.gz FEYJEWDFOVLOMT-UHFFFAOYSA-N 0 1 402.454 4.980 20 5 HIBDMN COc1ccccc1-c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000468938751 883002998 /nfs/dbraw/zinc/00/29/98/883002998.db2.gz KWIWRRWEZMHOEX-UHFFFAOYSA-N 0 1 414.439 4.080 20 5 HIBDMN O=[N+]([O-])c1ccc(-c2nc(CN3CCC[C@](CO)(Cc4ccccc4)C3)co2)cc1 ZINC000463439569 876497469 /nfs/dbraw/zinc/49/74/69/876497469.db2.gz AEEAXFMDXDNDSJ-QHCPKHFHSA-N 0 1 407.470 4.067 20 5 HIBDMN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC3(C2)CCOCC3)c([N+](=O)[O-])c1 ZINC000464824837 878078982 /nfs/dbraw/zinc/07/89/82/878078982.db2.gz BLRGHXFKHFTSGT-OAQYLSRUSA-N 0 1 409.486 4.086 20 5 HIBDMN Cc1[nH]ncc1CNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000466634538 880407600 /nfs/dbraw/zinc/40/76/00/880407600.db2.gz QRPMSEBLLPRIPJ-UHFFFAOYSA-N 0 1 402.863 4.361 20 5 HIBDMN C[C@H](N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000467001597 880810610 /nfs/dbraw/zinc/81/06/10/880810610.db2.gz IPGMVNFHXGQQQP-XJKSGUPXSA-N 0 1 407.392 4.065 20 5 HIBDMN Cc1cc(S(=O)(=O)Nc2cccc(-c3nc4ccccc4n3C)c2)ccc1[N+](=O)[O-] ZINC000467083455 880854088 /nfs/dbraw/zinc/85/40/88/880854088.db2.gz GKMYSUQPDDPBSF-UHFFFAOYSA-N 0 1 422.466 4.258 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(N2CCCC[C@H]2C)cc1C ZINC000467425279 881214729 /nfs/dbraw/zinc/21/47/29/881214729.db2.gz NNNMPLZQTZJLDX-OAHLLOKOSA-N 0 1 419.503 4.091 20 5 HIBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nnc(-c2cc(F)ccc2C)s1 ZINC000469882245 884072760 /nfs/dbraw/zinc/07/27/60/884072760.db2.gz SVUDZNXGHXHHTM-UHFFFAOYSA-N 0 1 402.407 4.212 20 5 HIBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470665966 885093991 /nfs/dbraw/zinc/09/39/91/885093991.db2.gz GYBVOSAGQRLPEL-PXNSSMCTSA-N 0 1 413.543 4.198 20 5 HIBDMN CN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470815033 885304069 /nfs/dbraw/zinc/30/40/69/885304069.db2.gz XOPRQJLIDHNTQG-KRWDZBQOSA-N 0 1 421.419 4.350 20 5 HIBDMN COc1cccc([C@H]2[C@@H](NC(=O)Nc3ccc([N+](=O)[O-])c(C)c3)CCN2C2CC2)c1 ZINC000471952393 886760169 /nfs/dbraw/zinc/76/01/69/886760169.db2.gz GQWACNSYRZZEGU-FPOVZHCZSA-N 0 1 410.474 4.011 20 5 HIBDMN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN[C@@H](CO)c2ccsc2)cc1 ZINC000472075981 886878297 /nfs/dbraw/zinc/87/82/97/886878297.db2.gz XMJCJDNQXVROIS-NRFANRHFSA-N 0 1 420.494 4.332 20 5 HIBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@]1(c2ccccc2)CCCCC1=O ZINC000472638535 887503178 /nfs/dbraw/zinc/50/31/78/887503178.db2.gz QBSDAVZIPSUTLL-QHCPKHFHSA-N 0 1 409.486 4.202 20 5 HIBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@]1(c2ccccc2)CCCCC1=O ZINC000472638535 887503184 /nfs/dbraw/zinc/50/31/84/887503184.db2.gz QBSDAVZIPSUTLL-QHCPKHFHSA-N 0 1 409.486 4.202 20 5 HIBDMN COC(=O)COc1ccc(CN[C@H](c2ccc(Cl)cc2F)C(C)C)cc1[N+](=O)[O-] ZINC000474017184 888871572 /nfs/dbraw/zinc/87/15/72/888871572.db2.gz APAPDQGBNFUSKC-FQEVSTJZSA-N 0 1 424.856 4.426 20 5 HIBDMN COC(=O)COc1ccc(CN[C@@H](c2ccc(F)cc2F)C(C)(C)C)cc1[N+](=O)[O-] ZINC000474355803 889232922 /nfs/dbraw/zinc/23/29/22/889232922.db2.gz SWPIDNUXQFWJMV-FQEVSTJZSA-N 0 1 422.428 4.302 20 5 HIBDMN Cc1ccc([C@@H](N[C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccn2)cc1 ZINC000475334884 890253940 /nfs/dbraw/zinc/25/39/40/890253940.db2.gz FLHHZLRDVDRLRN-GAJHUEQPSA-N 0 1 404.470 4.395 20 5 HIBDMN COc1cccc([C@H]2[C@H](NC(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)CCN2C2CC2)c1 ZINC000475564630 890494430 /nfs/dbraw/zinc/49/44/30/890494430.db2.gz NBIWFSYPHQVXEJ-KNQAVFIVSA-N 0 1 424.501 4.320 20 5 HIBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CNC(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC000475711503 890649940 /nfs/dbraw/zinc/64/99/40/890649940.db2.gz WKLXDVJAFQKOAT-UHFFFAOYSA-N 0 1 411.380 4.265 20 5 HIBDMN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000476782383 891761828 /nfs/dbraw/zinc/76/18/28/891761828.db2.gz XYNAQNNYVCCJRF-UHFFFAOYSA-N 0 1 416.821 4.056 20 5 HIBDMN CCc1nc([C@H](C)NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)n[nH]1 ZINC000477567323 892623682 /nfs/dbraw/zinc/62/36/82/892623682.db2.gz WRPQRORCZDIVCN-NSHDSACASA-N 0 1 415.837 4.212 20 5 HIBDMN CCN(C[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1)CC(F)(F)F ZINC000477759750 892850027 /nfs/dbraw/zinc/85/00/27/892850027.db2.gz NFGOIDJSLMLWMX-HNNXBMFYSA-N 0 1 403.445 4.088 20 5 HIBDMN Cc1c(CNC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cccc1[N+](=O)[O-] ZINC000478435252 893736422 /nfs/dbraw/zinc/73/64/22/893736422.db2.gz LZJXIAKHTGLGFW-UHFFFAOYSA-N 0 1 416.909 4.020 20 5 HIBDMN COc1ccccc1CN(Cc1cccs1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000478693634 893951871 /nfs/dbraw/zinc/95/18/71/893951871.db2.gz ZTHDIBYKUBBZFZ-UHFFFAOYSA-N 0 1 422.466 4.384 20 5 HIBDMN O=C1[C@@H](NC/C=C/c2ccccc2[N+](=O)[O-])CCN1c1ccccc1C(F)(F)F ZINC000479418664 894728374 /nfs/dbraw/zinc/72/83/74/894728374.db2.gz KHVCUGPLNAASND-YERXGYGTSA-N 0 1 405.376 4.022 20 5 HIBDMN Cc1c(CNC(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)cccc1[N+](=O)[O-] ZINC000480057855 895405023 /nfs/dbraw/zinc/40/50/23/895405023.db2.gz HOCSVSIWNOHGQV-SFHVURJKSA-N 0 1 413.865 4.480 20 5 HIBDMN CCC[C@@H](NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000481583828 896962923 /nfs/dbraw/zinc/96/29/23/896962923.db2.gz QXFVDYIBRHHRRG-OAQYLSRUSA-N 0 1 419.547 4.255 20 5 HIBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1 ZINC000483407484 899038835 /nfs/dbraw/zinc/03/88/35/899038835.db2.gz NBKOBIPLENLUQG-UHFFFAOYSA-N 0 1 405.389 4.157 20 5 HIBDMN CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505805409 914465962 /nfs/dbraw/zinc/46/59/62/914465962.db2.gz QJJQLAQMSBCURV-UHFFFAOYSA-N 0 1 408.458 4.176 20 5 HIBDMN COc1cc(CN2CC[C@@H](COc3ccccc3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000505841488 914493418 /nfs/dbraw/zinc/49/34/18/914493418.db2.gz WARJWKKSJOXOJV-OAHLLOKOSA-N 0 1 422.428 4.148 20 5 HIBDMN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC(c2c(F)cccc2F)CC1 ZINC000485861219 901103709 /nfs/dbraw/zinc/10/37/09/901103709.db2.gz GMIXFPOJTSPRBW-UHFFFAOYSA-N 0 1 417.412 4.051 20 5 HIBDMN C[C@@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(Oc2cccnc2)cc1 ZINC000487935586 902465465 /nfs/dbraw/zinc/46/54/65/902465465.db2.gz NQJGMKFANJROFL-OPAMFIHVSA-N 0 1 418.453 4.238 20 5 HIBDMN CC1(C)CC[C@@H](CN[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)O1 ZINC000488181776 902669967 /nfs/dbraw/zinc/66/99/67/902669967.db2.gz FWGRNHAGDYNYFZ-QFBILLFUSA-N 0 1 417.893 4.475 20 5 HIBDMN O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1 ZINC000489068810 903172145 /nfs/dbraw/zinc/17/21/45/903172145.db2.gz KTCGFROPRBICRJ-UHFFFAOYSA-N 0 1 415.409 4.064 20 5 HIBDMN CO[C@@H](C)c1nc(CN2CCCN([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)cs1 ZINC000490013325 903724624 /nfs/dbraw/zinc/72/46/24/903724624.db2.gz LTKBDVDEQJISOQ-IRXDYDNUSA-N 0 1 418.563 4.336 20 5 HIBDMN CCn1c2ccccc2nc1[C@@H]1CCCN1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000490164659 903805291 /nfs/dbraw/zinc/80/52/91/903805291.db2.gz NHRNPKSEIADWTP-NRFANRHFSA-N 0 1 421.501 4.439 20 5 HIBDMN O=C(CCCCc1nc2ccccc2s1)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000490369629 903962911 /nfs/dbraw/zinc/96/29/11/903962911.db2.gz OSWOWFRDYCTBEO-UHFFFAOYSA-N 0 1 422.470 4.341 20 5 HIBDMN CN(CCCc1cc(-c2ccc(F)cc2)n(C)n1)Cc1ccc([N+](=O)[O-])cc1F ZINC000491167989 904465903 /nfs/dbraw/zinc/46/59/03/904465903.db2.gz OJTUVHDKGLNWFC-UHFFFAOYSA-N 0 1 400.429 4.338 20 5 HIBDMN CCCO[C@H]1CCCN(Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])CC1 ZINC000491227741 904490036 /nfs/dbraw/zinc/49/00/36/904490036.db2.gz ICILZSQCXJBQHC-HNNXBMFYSA-N 0 1 402.438 4.028 20 5 HIBDMN CCCO[C@@H]1CCCN(Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])CC1 ZINC000491227742 904490341 /nfs/dbraw/zinc/49/03/41/904490341.db2.gz ICILZSQCXJBQHC-OAHLLOKOSA-N 0 1 402.438 4.028 20 5 HIBDMN Cc1ccc([C@@H](CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)N2CCOCC2)o1 ZINC000491421914 904587715 /nfs/dbraw/zinc/58/77/15/904587715.db2.gz FUFUEBDVGWRFJS-VWNXMTODSA-N 0 1 421.497 4.249 20 5 HIBDMN C[C@]1(CO)CCC[C@H]1N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000493653166 905182908 /nfs/dbraw/zinc/18/29/08/905182908.db2.gz GSBZEAFIAPZGMX-SVFBPWRDSA-N 0 1 417.893 4.069 20 5 HIBDMN Cc1ccc(CN2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)cc1[N+](=O)[O-] ZINC000512444510 921166552 /nfs/dbraw/zinc/16/65/52/921166552.db2.gz PQNQNVWBXFFBJG-KRWDZBQOSA-N 0 1 400.454 4.076 20 5 HIBDMN CCOc1ccc([C@H](C)NCC(=O)Nc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000495437777 906451802 /nfs/dbraw/zinc/45/18/02/906451802.db2.gz DASYHXMSCDHVMI-LBPRGKRZSA-N 0 1 422.279 4.045 20 5 HIBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000495864959 906566806 /nfs/dbraw/zinc/56/68/06/906566806.db2.gz WXNQOBQSVHWIKT-OAHLLOKOSA-N 0 1 414.531 4.057 20 5 HIBDMN CC(C)c1nc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)n[nH]1 ZINC000496786110 906757262 /nfs/dbraw/zinc/75/72/62/906757262.db2.gz ROVSKTGRTQNOMN-ZDUSSCGKSA-N 0 1 411.487 4.479 20 5 HIBDMN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000497141356 906810961 /nfs/dbraw/zinc/81/09/61/906810961.db2.gz MUFVDFWKYBZDQK-INIZCTEOSA-N 0 1 403.398 4.103 20 5 HIBDMN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000497141356 906810967 /nfs/dbraw/zinc/81/09/67/906810967.db2.gz MUFVDFWKYBZDQK-INIZCTEOSA-N 0 1 403.398 4.103 20 5 HIBDMN NC(=O)CC[C@@H]1CCCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000512679648 921285306 /nfs/dbraw/zinc/28/53/06/921285306.db2.gz YQQDWTVYSAVTDM-HNNXBMFYSA-N 0 1 401.438 4.004 20 5 HIBDMN NC(=O)CC[C@H]1CCCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000512679649 921285539 /nfs/dbraw/zinc/28/55/39/921285539.db2.gz YQQDWTVYSAVTDM-OAHLLOKOSA-N 0 1 401.438 4.004 20 5 HIBDMN CC1(C)CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000497881403 907356243 /nfs/dbraw/zinc/35/62/43/907356243.db2.gz ILNVRFCGQLRICR-QGZVFWFLSA-N 0 1 424.375 4.312 20 5 HIBDMN CC(C)(C(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1)c1ccccc1[N+](=O)[O-] ZINC000498180157 907713424 /nfs/dbraw/zinc/71/34/24/907713424.db2.gz ZKEMNSJRFNMKEQ-QGZVFWFLSA-N 0 1 419.485 4.064 20 5 HIBDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)c4ccc([N+](=O)[O-])c5cccnc45)C3)[nH]c2c1 ZINC000498647053 908086182 /nfs/dbraw/zinc/08/61/82/908086182.db2.gz RPEWVEJIRGSGED-OAHLLOKOSA-N 0 1 415.453 4.348 20 5 HIBDMN Cc1ccc2nc([C@H]3CCCN(C(=O)c4ccc([N+](=O)[O-])c5cccnc45)C3)[nH]c2c1 ZINC000498647052 908086829 /nfs/dbraw/zinc/08/68/29/908086829.db2.gz RPEWVEJIRGSGED-HNNXBMFYSA-N 0 1 415.453 4.348 20 5 HIBDMN O=[N+]([O-])c1cccc(CNCc2ccc(I)c(Cl)c2)c1 ZINC000500448713 909865723 /nfs/dbraw/zinc/86/57/23/909865723.db2.gz RXEDFOKEKVISSU-UHFFFAOYSA-N 0 1 402.619 4.143 20 5 HIBDMN Cc1ccc([N+](=O)[O-])c(C)c1NS(=O)(=O)c1ccc(Cl)cc1Br ZINC000500470405 909877273 /nfs/dbraw/zinc/87/72/73/909877273.db2.gz NJDCLMSKVMXQRV-UHFFFAOYSA-N 0 1 419.684 4.428 20 5 HIBDMN COCC1(C)CCN(Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000500752573 910060831 /nfs/dbraw/zinc/06/08/31/910060831.db2.gz GAICOTKZRPBOLM-UHFFFAOYSA-N 0 1 414.502 4.431 20 5 HIBDMN Cc1ccc(CN2CCSCC2)cc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000502447897 911434762 /nfs/dbraw/zinc/43/47/62/911434762.db2.gz YRASZEBXZZUZLF-UHFFFAOYSA-N 0 1 405.907 4.358 20 5 HIBDMN Cc1cc(NS(=O)(=O)c2csc3ccccc32)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506834531 915610639 /nfs/dbraw/zinc/61/06/39/915610639.db2.gz NLXCKAIBLMBVTK-UHFFFAOYSA-N 0 1 414.468 4.104 20 5 HIBDMN COc1ccccc1COc1cccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1C ZINC000507089305 915864109 /nfs/dbraw/zinc/86/41/09/915864109.db2.gz SCVHXBLWGUNGKF-UHFFFAOYSA-N 0 1 408.410 4.449 20 5 HIBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000507330062 916087070 /nfs/dbraw/zinc/08/70/70/916087070.db2.gz ZLTLZGZHGKIKRU-LJQANCHMSA-N 0 1 410.405 4.197 20 5 HIBDMN COCCSc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000507462629 916231652 /nfs/dbraw/zinc/23/16/52/916231652.db2.gz FIVSGJNDEBXGOG-HUUCEWRRSA-N 0 1 403.504 4.011 20 5 HIBDMN CC[C@H](C)NC(=O)[C@H](C)NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000507929235 916803592 /nfs/dbraw/zinc/80/35/92/916803592.db2.gz HMKTUJPIBVHRBV-KBPBESRZSA-N 0 1 405.882 4.433 20 5 HIBDMN COc1cc(CN[C@H]2CCCc3nn(C)cc32)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000509950167 918545620 /nfs/dbraw/zinc/54/56/20/918545620.db2.gz YWYIMAHBNQKAIO-FQEVSTJZSA-N 0 1 422.485 4.083 20 5 HIBDMN Cc1ccc(C(=O)C2CCN(Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000510175000 918727281 /nfs/dbraw/zinc/72/72/81/918727281.db2.gz HKILYKKQFIYZHT-UHFFFAOYSA-N 0 1 418.497 4.399 20 5 HIBDMN Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)cc1[N+](=O)[O-] ZINC000511129966 919743964 /nfs/dbraw/zinc/74/39/64/919743964.db2.gz JYWCKDQFYQIOTL-UHFFFAOYSA-N 0 1 403.391 4.030 20 5 HIBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000511545324 920173192 /nfs/dbraw/zinc/17/31/92/920173192.db2.gz KXHKTDWCRRGNIC-LJQANCHMSA-N 0 1 423.391 4.481 20 5 HIBDMN O=C1CCCN1C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000513725636 922045333 /nfs/dbraw/zinc/04/53/33/922045333.db2.gz RKKXSHQKUMMOIE-UHFFFAOYSA-N 0 1 403.866 4.095 20 5 HIBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)n2)cc1 ZINC000514053060 922374554 /nfs/dbraw/zinc/37/45/54/922374554.db2.gz MEGHIFXIROPXSJ-UHFFFAOYSA-N 0 1 420.473 4.177 20 5 HIBDMN COc1ccc([C@@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)N2CCCCC2)cc1 ZINC000515113689 922926112 /nfs/dbraw/zinc/92/61/12/922926112.db2.gz VPRWWIIVBYMJNA-OAQYLSRUSA-N 0 1 412.490 4.261 20 5 HIBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000517717399 926812158 /nfs/dbraw/zinc/81/21/58/926812158.db2.gz KPQGTDIUOGQQGJ-OLZOCXBDSA-N 0 1 418.240 4.429 20 5 HIBDMN CCCc1[nH]nc(C(=O)N2CCC(Oc3ccc(C(C)C)cc3)CC2)c1[N+](=O)[O-] ZINC000521036367 928951823 /nfs/dbraw/zinc/95/18/23/928951823.db2.gz BGXGBRLLOSBWKC-UHFFFAOYSA-N 0 1 400.479 4.077 20 5 HIBDMN COc1cc(CNc2ccc(C(=O)N3CCC[C@H](C)C3)cc2C)cc([N+](=O)[O-])c1O ZINC000521919070 929563381 /nfs/dbraw/zinc/56/33/81/929563381.db2.gz VMAKAPSOICTDIM-AWEZNQCLSA-N 0 1 413.474 4.102 20 5 HIBDMN CC(C)c1ccc([C@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])c2cccs2)cc1 ZINC000525184553 930079824 /nfs/dbraw/zinc/07/98/24/930079824.db2.gz UJVNJFXDFZHMCG-SFHVURJKSA-N 0 1 417.512 4.243 20 5 HIBDMN C[C@@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000525248025 930104253 /nfs/dbraw/zinc/10/42/53/930104253.db2.gz XMVNBYIHVLIZIF-ACJLOTCBSA-N 0 1 405.401 4.042 20 5 HIBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000527289447 930627924 /nfs/dbraw/zinc/62/79/24/930627924.db2.gz YYMFMKVDDGIXFG-VBKZILBWSA-N 0 1 403.429 4.023 20 5 HIBDMN Cc1nc(-c2ccc(CNS(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])cc2)cs1 ZINC000530669588 930793048 /nfs/dbraw/zinc/79/30/48/930793048.db2.gz VMKFMGFTEVPDBZ-UHFFFAOYSA-N 0 1 423.903 4.159 20 5 HIBDMN COc1cc(CN[C@H](CO)c2ccccc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531094579 930918112 /nfs/dbraw/zinc/91/81/12/930918112.db2.gz YQVHEGPWAGCFJA-JOCHJYFZSA-N 0 1 422.481 4.314 20 5 HIBDMN CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000531204530 930965024 /nfs/dbraw/zinc/96/50/24/930965024.db2.gz GYZZZCDUNCYIJT-ZIAGYGMSSA-N 0 1 419.503 4.128 20 5 HIBDMN COc1ccc(CC(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)cc1[N+](=O)[O-] ZINC000531482283 931073218 /nfs/dbraw/zinc/07/32/18/931073218.db2.gz INCLPVGSKCOYRV-MRXNPFEDSA-N 0 1 414.849 4.039 20 5 HIBDMN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000531687021 931153189 /nfs/dbraw/zinc/15/31/89/931153189.db2.gz SJHUQGSTMILKFO-IBGZPJMESA-N 0 1 409.446 4.153 20 5 HIBDMN O=[N+]([O-])c1cc(CN2CCC[C@H](c3nc4c(s3)CCCC4)C2)c2c(c1)COCO2 ZINC000532275694 931380456 /nfs/dbraw/zinc/38/04/56/931380456.db2.gz MWWBUKJPHSISIN-AWEZNQCLSA-N 0 1 415.515 4.176 20 5 HIBDMN CCOc1ccccc1N1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000532750094 931622428 /nfs/dbraw/zinc/62/24/28/931622428.db2.gz WRVBQEXSTXUANY-UHFFFAOYSA-N 0 1 422.485 4.013 20 5 HIBDMN O=[N+]([O-])c1cc(CN2CCC[C@H](c3nc4ccc(F)cc4o3)C2)c2c(c1)COCO2 ZINC000532780110 931629427 /nfs/dbraw/zinc/62/94/27/931629427.db2.gz WMUMHTNKPLVLIA-ZDUSSCGKSA-N 0 1 413.405 4.121 20 5 HIBDMN O=C1[C@@H](N2CCC(c3c[nH]c4ccccc43)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000533221512 931813637 /nfs/dbraw/zinc/81/36/37/931813637.db2.gz OTEWZEVILNUDBJ-QFIPXVFZSA-N 0 1 404.470 4.061 20 5 HIBDMN O=C1[C@H](N2CCC(c3c[nH]c4ccccc43)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000533221511 931813739 /nfs/dbraw/zinc/81/37/39/931813739.db2.gz OTEWZEVILNUDBJ-JOCHJYFZSA-N 0 1 404.470 4.061 20 5 HIBDMN COc1ccc(CNc2ccc3nn[nH]c3c2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000533797131 932036825 /nfs/dbraw/zinc/03/68/25/932036825.db2.gz KJXLPHOQFAHVML-UHFFFAOYSA-N 0 1 405.414 4.066 20 5 HIBDMN COc1ccc(CNc2ccc3n[nH]nc3c2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000533797131 932036838 /nfs/dbraw/zinc/03/68/38/932036838.db2.gz KJXLPHOQFAHVML-UHFFFAOYSA-N 0 1 405.414 4.066 20 5 HIBDMN Cc1cc(CN2CCSCC2)ccc1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534225228 932344629 /nfs/dbraw/zinc/34/46/29/932344629.db2.gz BTJHYWZHONOXDV-UHFFFAOYSA-N 0 1 410.499 4.186 20 5 HIBDMN CN1CC[C@@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534227479 932346864 /nfs/dbraw/zinc/34/68/64/932346864.db2.gz XRESXTGYCRBASJ-HRAATJIYSA-N 0 1 419.884 4.129 20 5 HIBDMN Cc1ccc2nc([C@H]3CCCN3C(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)[nH]c2c1 ZINC000534682221 932652351 /nfs/dbraw/zinc/65/23/51/932652351.db2.gz KPVPSKFAIWYJNT-HXUWFJFHSA-N 0 1 403.442 4.167 20 5 HIBDMN Cc1cc(C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-] ZINC000535669877 933315413 /nfs/dbraw/zinc/31/54/13/933315413.db2.gz DIAPGXWHHQUXEI-DNVCBOLYSA-N 0 1 405.857 4.119 20 5 HIBDMN Cc1cc(C(=O)NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-] ZINC000535669877 933315428 /nfs/dbraw/zinc/31/54/28/933315428.db2.gz DIAPGXWHHQUXEI-DNVCBOLYSA-N 0 1 405.857 4.119 20 5 HIBDMN COc1cc(CN2CCC[C@H]3COCC[C@@H]32)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000535799060 933396010 /nfs/dbraw/zinc/39/60/10/933396010.db2.gz AKTCJCPOCCBKPP-ICSRJNTNSA-N 0 1 412.486 4.183 20 5 HIBDMN CC[C@H](N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccccc1OC(F)F ZINC000538151119 938522817 /nfs/dbraw/zinc/52/28/17/938522817.db2.gz JNQMHJWMWKTGKQ-WFASDCNBSA-N 0 1 423.416 4.273 20 5 HIBDMN C[C@H](NCC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000538176681 938538444 /nfs/dbraw/zinc/53/84/44/938538444.db2.gz LWVRTLYLLOYPDX-AWEZNQCLSA-N 0 1 424.482 4.198 20 5 HIBDMN Cc1ccc([C@@H](C)NCC(=O)Nc2ccc(Br)cc2C)cc1[N+](=O)[O-] ZINC000538279900 938582328 /nfs/dbraw/zinc/58/23/28/938582328.db2.gz MXANDISACCHFAR-CYBMUJFWSA-N 0 1 406.280 4.263 20 5 HIBDMN Cc1ccc([C@@H](C)NCC(=O)NCc2ccccc2OC2CCCC2)cc1[N+](=O)[O-] ZINC000538280407 938582406 /nfs/dbraw/zinc/58/24/06/938582406.db2.gz SDYLMTVLLNTDFK-QGZVFWFLSA-N 0 1 411.502 4.192 20 5 HIBDMN COc1cc(CNc2nnc(Cc3ccc4ccccc4c3)o2)cc([N+](=O)[O-])c1O ZINC000538592753 938657403 /nfs/dbraw/zinc/65/74/03/938657403.db2.gz CGCZAXGUZAJBKQ-UHFFFAOYSA-N 0 1 406.398 4.048 20 5 HIBDMN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000538688761 938684360 /nfs/dbraw/zinc/68/43/60/938684360.db2.gz LCJUZKPGRVUIDD-UHFFFAOYSA-N 0 1 413.543 4.443 20 5 HIBDMN COc1ccccc1[C@H](CNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C)N1CCCC1 ZINC000538752847 938702635 /nfs/dbraw/zinc/70/26/35/938702635.db2.gz QMBGFDJDUSINGJ-IBGZPJMESA-N 0 1 411.502 4.096 20 5 HIBDMN Cc1n[nH]c(C(F)F)c1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000538857922 938726150 /nfs/dbraw/zinc/72/61/50/938726150.db2.gz WNKCQRYRWNSZPE-UHFFFAOYSA-N 0 1 407.299 4.023 20 5 HIBDMN C[C@@H](N[C@@H](C)c1ccc(OCc2cccnc2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000539225297 938821476 /nfs/dbraw/zinc/82/14/76/938821476.db2.gz CJODCPPJBAFDTM-DLBZAZTESA-N 0 1 420.469 4.247 20 5 HIBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](COc1ccccc1F)c1ccccc1 ZINC000539268645 938830464 /nfs/dbraw/zinc/83/04/64/938830464.db2.gz SPNVNAOTSJBKHV-NRFANRHFSA-N 0 1 423.444 4.391 20 5 HIBDMN CC[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)OCCO2 ZINC000539277926 938832142 /nfs/dbraw/zinc/83/21/42/938832142.db2.gz XAMMZMSATURFJZ-BLLLJJGKSA-N 0 1 419.865 4.087 20 5 HIBDMN CC(C)(NCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccc(F)c1 ZINC000539312284 938839263 /nfs/dbraw/zinc/83/92/63/938839263.db2.gz NPMOYYKJTOPFGA-UHFFFAOYSA-N 0 1 414.462 4.321 20 5 HIBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](COc1ccccc1)c1ccccc1 ZINC000539317157 938840021 /nfs/dbraw/zinc/84/00/21/938840021.db2.gz PTKANDAQJZOGDO-FQEVSTJZSA-N 0 1 405.454 4.252 20 5 HIBDMN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000539356907 938847559 /nfs/dbraw/zinc/84/75/59/938847559.db2.gz QLAJZAZZZJYDDD-UHFFFAOYSA-N 0 1 405.495 4.226 20 5 HIBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000539415016 938857492 /nfs/dbraw/zinc/85/74/92/938857492.db2.gz KGJANYJCPRIELL-UHFFFAOYSA-N 0 1 416.484 4.390 20 5 HIBDMN CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539723564 938913564 /nfs/dbraw/zinc/91/35/64/938913564.db2.gz IGMJKLQICRLSFW-LPHOPBHVSA-N 0 1 421.856 4.047 20 5 HIBDMN CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539723564 938913567 /nfs/dbraw/zinc/91/35/67/938913567.db2.gz IGMJKLQICRLSFW-LPHOPBHVSA-N 0 1 421.856 4.047 20 5 HIBDMN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000539746683 938919702 /nfs/dbraw/zinc/91/97/02/938919702.db2.gz WZQLFMAUYRINQN-MRXNPFEDSA-N 0 1 422.489 4.262 20 5 HIBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000539761319 938926768 /nfs/dbraw/zinc/92/67/68/938926768.db2.gz GAZMFEPEKZTDGN-MRXNPFEDSA-N 0 1 406.446 4.100 20 5 HIBDMN COc1cc(CN(C)CCC2CCOCC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000539821868 938944965 /nfs/dbraw/zinc/94/49/65/938944965.db2.gz DNGHKXZDZCVZJL-UHFFFAOYSA-N 0 1 414.502 4.431 20 5 HIBDMN CCOc1ccccc1[C@H](CC)N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000540350790 939202459 /nfs/dbraw/zinc/20/24/59/939202459.db2.gz DAPKXOSUTXUPPP-YOEHRIQHSA-N 0 1 401.463 4.070 20 5 HIBDMN CCOc1ccccc1[C@@H](CC)N[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000540352513 939204342 /nfs/dbraw/zinc/20/43/42/939204342.db2.gz OMSSAIUYIIETFA-WMLDXEAASA-N 0 1 401.463 4.070 20 5 HIBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000540354142 939205003 /nfs/dbraw/zinc/20/50/03/939205003.db2.gz IBMFQECMNFLVLX-KRWDZBQOSA-N 0 1 420.469 4.167 20 5 HIBDMN COc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(OC(C)C)cc2)c([N+](=O)[O-])c1 ZINC000540363130 939211166 /nfs/dbraw/zinc/21/11/66/939211166.db2.gz IRQBGPUAKRHSRU-LSDHHAIUSA-N 0 1 401.463 4.068 20 5 HIBDMN CCOc1ccc([C@@H](C)NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1OCC ZINC000540367127 939212190 /nfs/dbraw/zinc/21/21/90/939212190.db2.gz BJQFZSWWMLCHBK-CYBMUJFWSA-N 0 1 421.881 4.335 20 5 HIBDMN C[C@@H](N[C@@H](C)c1ccc(OCC2CC2)c(F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000540423774 939243366 /nfs/dbraw/zinc/24/33/66/939243366.db2.gz GEKODAHDDNHHFN-UONOGXRCSA-N 0 1 401.438 4.201 20 5 HIBDMN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2nc3ccc(F)cc3s2)cc1[N+](=O)[O-] ZINC000540478442 939268793 /nfs/dbraw/zinc/26/87/93/939268793.db2.gz GRSPZTAKOQTUHN-NEPJUHHUSA-N 0 1 402.451 4.330 20 5 HIBDMN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000540852315 939395015 /nfs/dbraw/zinc/39/50/15/939395015.db2.gz SDHYQZCDDCOUPG-GOSISDBHSA-N 0 1 419.485 4.325 20 5 HIBDMN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000540857284 939397641 /nfs/dbraw/zinc/39/76/41/939397641.db2.gz CDJYUFGMIFEBAZ-UHFFFAOYSA-N 0 1 412.409 4.127 20 5 HIBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC(c3ncc[nH]3)CC2)cc1OC ZINC000541058307 939445222 /nfs/dbraw/zinc/44/52/22/939445222.db2.gz GNSUFWHQKBWLAH-HNNXBMFYSA-N 0 1 402.495 4.131 20 5 HIBDMN CC(C)([C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(F)c(F)c1)N1CCCC1 ZINC000541552362 939553033 /nfs/dbraw/zinc/55/30/33/939553033.db2.gz HFFVCPYWEQYAME-IBGZPJMESA-N 0 1 421.419 4.358 20 5 HIBDMN C[C@H](NC(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1)c1cccc([N+](=O)[O-])c1 ZINC000542440395 939823481 /nfs/dbraw/zinc/82/34/81/939823481.db2.gz AYCRJRWFWLZUKJ-MAUKXSAKSA-N 0 1 420.473 4.030 20 5 HIBDMN C[C@@H](C(=O)Nc1nc2ccc(Br)cc2[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000543440757 940064615 /nfs/dbraw/zinc/06/46/15/940064615.db2.gz GTOYDJHKXCJMIB-MRVPVSSYSA-N 0 1 407.199 4.115 20 5 HIBDMN CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000543558715 940108316 /nfs/dbraw/zinc/10/83/16/940108316.db2.gz HWZFCOLGJFNNAD-RTBURBONSA-N 0 1 412.421 4.136 20 5 HIBDMN COc1cc(C(=O)NCc2cn[nH]c2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000543699614 940163566 /nfs/dbraw/zinc/16/35/66/940163566.db2.gz VAUHQNWCRZCCJU-UHFFFAOYSA-N 0 1 416.821 4.011 20 5 HIBDMN CC(C)[C@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(Cl)cc1F ZINC000543847273 940207258 /nfs/dbraw/zinc/20/72/58/940207258.db2.gz ZAHWZQJNVZPQQO-IBGZPJMESA-N 0 1 423.828 4.041 20 5 HIBDMN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CCOCC3(CC3)C2)cc1 ZINC000544030595 940304972 /nfs/dbraw/zinc/30/49/72/940304972.db2.gz JRZSFDUBYDWUNT-UHFFFAOYSA-N 0 1 404.470 4.060 20 5 HIBDMN C[C@H](C(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000544488295 940454328 /nfs/dbraw/zinc/45/43/28/940454328.db2.gz DXNMAVPCFYOIKT-AWEZNQCLSA-N 0 1 423.448 4.029 20 5 HIBDMN O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000544622897 940492297 /nfs/dbraw/zinc/49/22/97/940492297.db2.gz YRLWUUQTYFCEPV-AWEZNQCLSA-N 0 1 416.457 4.311 20 5 HIBDMN CC[C@@H]1CN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCN1Cc1ccccc1 ZINC000544760543 940511455 /nfs/dbraw/zinc/51/14/55/940511455.db2.gz AHGXZAVHFDYQHC-FXAWDEMLSA-N 0 1 421.501 4.302 20 5 HIBDMN Cc1cc(Br)cn2c(CNC(C)(C)c3ccc([N+](=O)[O-])cc3)cnc12 ZINC000545167781 940553410 /nfs/dbraw/zinc/55/34/10/940553410.db2.gz NRMRVYURQAFHDS-UHFFFAOYSA-N 0 1 403.280 4.338 20 5 HIBDMN CCCc1[nH]nc(C(=O)N2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)c1[N+](=O)[O-] ZINC000548917067 941129076 /nfs/dbraw/zinc/12/90/76/941129076.db2.gz GHOPSWUPVKPBJU-QGZVFWFLSA-N 0 1 414.359 4.000 20 5 HIBDMN C[C@@H](N[C@H](C)c1ccc(OCc2cccnc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000550906930 941380956 /nfs/dbraw/zinc/38/09/56/941380956.db2.gz CEHQJRVJOCOFFO-IAGOWNOFSA-N 0 1 420.469 4.247 20 5 HIBDMN CN(c1ccccc1)c1ccc(CN2CCC(O[C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000552080663 941581112 /nfs/dbraw/zinc/58/11/12/941581112.db2.gz LVCYFOCRWDRESG-NRFANRHFSA-N 0 1 411.502 4.133 20 5 HIBDMN CCN(CC)CC(=O)Nc1cccc(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c1 ZINC000553738601 941956256 /nfs/dbraw/zinc/95/62/56/941956256.db2.gz BRRXZFXYVKYPFK-UHFFFAOYSA-N 0 1 412.490 4.251 20 5 HIBDMN Cc1ccc(S(=O)(=O)Nc2ccccc2O[C@H](C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000554690378 942200798 /nfs/dbraw/zinc/20/07/98/942200798.db2.gz WFDOYWZVEZTVFI-LLVKDONJSA-N 0 1 404.366 4.034 20 5 HIBDMN C[C@H](c1ccccc1F)N1CCC[C@@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1=O ZINC000556221613 942820775 /nfs/dbraw/zinc/82/07/75/942820775.db2.gz DUIDOSNQIGOWCU-UJUVCNOISA-N 0 1 411.477 4.453 20 5 HIBDMN Cc1[nH]nc(C(=O)N(Cc2ccccc2OC(F)(F)F)C2CCCC2)c1[N+](=O)[O-] ZINC000556991133 942989448 /nfs/dbraw/zinc/98/94/48/942989448.db2.gz RAVZOYVVXGNQAM-UHFFFAOYSA-N 0 1 412.368 4.110 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000558736215 943635000 /nfs/dbraw/zinc/63/50/00/943635000.db2.gz OQIUZLQXWXHJID-KANFNMMFSA-N 0 1 409.486 4.341 20 5 HIBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)c1 ZINC000558830528 943683708 /nfs/dbraw/zinc/68/37/08/943683708.db2.gz GEIOWIPIRYHGGL-OAHLLOKOSA-N 0 1 408.458 4.198 20 5 HIBDMN CC[C@@H](NCc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000560270042 944214179 /nfs/dbraw/zinc/21/41/79/944214179.db2.gz ZCDMVIPKVORBLA-OFNKIYASSA-N 0 1 422.485 4.061 20 5 HIBDMN CC[C@H](NCc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000560270039 944214378 /nfs/dbraw/zinc/21/43/78/944214378.db2.gz ZCDMVIPKVORBLA-NZQKXSOJSA-N 0 1 422.485 4.061 20 5 HIBDMN O=C(N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000560811769 944341471 /nfs/dbraw/zinc/34/14/71/944341471.db2.gz YWLSRWMSTXOOIP-SFHVURJKSA-N 0 1 424.375 4.217 20 5 HIBDMN COC[C@]1(CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)OCCc2ccccc21 ZINC000570889130 947386063 /nfs/dbraw/zinc/38/60/63/947386063.db2.gz KKUNAPJTVZSZFG-RPBOFIJWSA-N 0 1 418.493 4.388 20 5 HIBDMN CCO[C@@H]1C[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[C@@H]1n1cccn1 ZINC000571422004 947638426 /nfs/dbraw/zinc/63/84/26/947638426.db2.gz NJGBHZCAQFEYHQ-RLLQIKCJSA-N 0 1 416.865 4.213 20 5 HIBDMN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1ccncc1OCc1ccccc1 ZINC000573943215 948329428 /nfs/dbraw/zinc/32/94/28/948329428.db2.gz WRCDUQGSVQBIKG-QGZVFWFLSA-N 0 1 420.469 4.076 20 5 HIBDMN Cc1ccc2nc([C@H]3CCCN3Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)[nH]c2c1 ZINC000575785938 948707054 /nfs/dbraw/zinc/70/70/54/948707054.db2.gz AOOGYVHZJMXXPQ-GOSISDBHSA-N 0 1 404.430 4.167 20 5 HIBDMN CCCc1[nH]nc(C(=O)N2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)c1[N+](=O)[O-] ZINC000575891067 948754615 /nfs/dbraw/zinc/75/46/15/948754615.db2.gz KDEOIOFWCBZFFB-ZDUSSCGKSA-N 0 1 410.396 4.309 20 5 HIBDMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000007492035 845344964 /nfs/dbraw/zinc/34/49/64/845344964.db2.gz BJNBAQJMLBBWMB-UHFFFAOYSA-N 0 1 408.285 4.296 20 5 HIBDMN CCN(CC)[C@H](CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1Cl ZINC000010448317 845662825 /nfs/dbraw/zinc/66/28/25/845662825.db2.gz FFQQOCMDYSEMDR-GOSISDBHSA-N 0 1 405.882 4.070 20 5 HIBDMN C[C@H](Sc1nnc(C(C)(C)C)[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000012257536 845863391 /nfs/dbraw/zinc/86/33/91/845863391.db2.gz NRDOGVKQMLGUNG-QMMMGPOBSA-N 0 1 417.413 4.149 20 5 HIBDMN O=C(Nc1ccccc1)Nc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000015513516 846056401 /nfs/dbraw/zinc/05/64/01/846056401.db2.gz HUTVJLIVWGJJAQ-UHFFFAOYSA-N 0 1 412.427 4.040 20 5 HIBDMN COc1ccc(NC(=O)[C@@H](C)Sc2nc3ccc(Cl)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000016827645 846214989 /nfs/dbraw/zinc/21/49/89/846214989.db2.gz VKCCQZXSFDIFKE-SECBINFHSA-N 0 1 406.851 4.252 20 5 HIBDMN CCN1CCN(c2ccc(Cl)cc2NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000023139348 846664060 /nfs/dbraw/zinc/66/40/60/846664060.db2.gz GQWOECLANOCGPP-UHFFFAOYSA-N 0 1 423.300 4.296 20 5 HIBDMN O=[N+]([O-])c1cccc(-c2nc(CNC[C@@]3(O)CCC[C@H](C(F)(F)F)C3)cs2)c1 ZINC000436410742 861760610 /nfs/dbraw/zinc/76/06/10/861760610.db2.gz LANSDUXKTLYJAD-SUMWQHHRSA-N 0 1 415.437 4.292 20 5 HIBDMN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H](c2ccccc2)c2ccc(Cl)cc2)c1 ZINC000027209601 847266358 /nfs/dbraw/zinc/26/63/58/847266358.db2.gz PMEOFYRHQLPRQV-IFMALSPDSA-N 0 1 412.873 4.367 20 5 HIBDMN O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c2ncccc12 ZINC000029871595 847638869 /nfs/dbraw/zinc/63/88/69/847638869.db2.gz UCWSSCHCSSHPTI-UHFFFAOYSA-N 0 1 416.403 4.484 20 5 HIBDMN COc1cc([C@@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1OC(C)C ZINC000030492778 847721306 /nfs/dbraw/zinc/72/13/06/847721306.db2.gz FTBIHGJXVFNAJD-CVEARBPZSA-N 0 1 415.490 4.377 20 5 HIBDMN CCN(CC)[C@@H](CNC(=O)c1ccc(NC)c([N+](=O)[O-])c1)c1ccccc1Cl ZINC000045820147 848735105 /nfs/dbraw/zinc/73/51/05/848735105.db2.gz YFDDZZCMWCLIFU-IBGZPJMESA-N 0 1 404.898 4.103 20 5 HIBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Oc3ccncc3)cc2)c(Cl)c1 ZINC000050534405 849393283 /nfs/dbraw/zinc/39/32/83/849393283.db2.gz JKFRNFCIHGHGJR-UHFFFAOYSA-N 0 1 405.819 4.236 20 5 HIBDMN COc1cc(CN2CCC(c3ccc(O)cc3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000055103312 849970800 /nfs/dbraw/zinc/97/08/00/849970800.db2.gz RUCHSJHYMUAWER-UHFFFAOYSA-N 0 1 408.401 4.290 20 5 HIBDMN CCCOc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC ZINC000056161993 850264586 /nfs/dbraw/zinc/26/45/86/850264586.db2.gz PBLSXIVIGBUHBC-HUUCEWRRSA-N 0 1 401.463 4.070 20 5 HIBDMN Cc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000056196550 850279609 /nfs/dbraw/zinc/27/96/09/850279609.db2.gz SGQQLSVJCWTBGV-QWHCGFSZSA-N 0 1 406.280 4.344 20 5 HIBDMN O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436968415 862148149 /nfs/dbraw/zinc/14/81/49/862148149.db2.gz VDHMDJQOMQUYFC-UHFFFAOYSA-N 0 1 424.284 4.002 20 5 HIBDMN COc1cc(CNCc2cccc3c2OCO3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000060527118 851134833 /nfs/dbraw/zinc/13/48/33/851134833.db2.gz WRFONQLJVRCGJH-UHFFFAOYSA-N 0 1 422.437 4.201 20 5 HIBDMN COc1ccc(CNCc2cccc3c2OCO3)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000060527090 851135096 /nfs/dbraw/zinc/13/50/96/851135096.db2.gz PIVAMVMWXNYVII-UHFFFAOYSA-N 0 1 422.437 4.201 20 5 HIBDMN COc1ccccc1CNCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000061011902 851272451 /nfs/dbraw/zinc/27/24/51/851272451.db2.gz XMRXUCMZSYKVRU-UHFFFAOYSA-N 0 1 408.454 4.481 20 5 HIBDMN Cc1csc(Nc2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C)c2)n1 ZINC000065857396 852287311 /nfs/dbraw/zinc/28/73/11/852287311.db2.gz KYPLQMJTJOYIPZ-UHFFFAOYSA-N 0 1 404.473 4.213 20 5 HIBDMN CCCCc1nc2ccc(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)cc2[nH]1 ZINC000065904075 852310192 /nfs/dbraw/zinc/31/01/92/852310192.db2.gz DOOHJCPRQRESFP-UHFFFAOYSA-N 0 1 404.430 4.252 20 5 HIBDMN Cc1cc(CN2CCSCC2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000072058211 852489881 /nfs/dbraw/zinc/48/98/81/852489881.db2.gz LUEGDVLXMHXISC-UHFFFAOYSA-N 0 1 405.907 4.358 20 5 HIBDMN COc1ccc(CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H](C)C2CC2)cc1 ZINC000096981768 852568032 /nfs/dbraw/zinc/56/80/32/852568032.db2.gz PAQFBOVEUWPULP-OAHLLOKOSA-N 0 1 408.458 4.454 20 5 HIBDMN O=C(c1cc(NC[C@@H](c2ccco2)N2CCCCC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000108312312 852838166 /nfs/dbraw/zinc/83/81/66/852838166.db2.gz DRRXEHYUOUZJOG-FQEVSTJZSA-N 0 1 412.490 4.063 20 5 HIBDMN CCCOc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000108416679 852848707 /nfs/dbraw/zinc/84/87/07/852848707.db2.gz BEACFJZNGULRFV-CABCVRRESA-N 0 1 401.463 4.070 20 5 HIBDMN CCCOc1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000108416685 852848873 /nfs/dbraw/zinc/84/88/73/852848873.db2.gz BEACFJZNGULRFV-LSDHHAIUSA-N 0 1 401.463 4.070 20 5 HIBDMN Cc1cc(CN2CCSCC2)ccc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000109890961 853029891 /nfs/dbraw/zinc/02/98/91/853029891.db2.gz LBKKEXZWZZFFKI-UHFFFAOYSA-N 0 1 405.907 4.358 20 5 HIBDMN O=C(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000109890200 853030443 /nfs/dbraw/zinc/03/04/43/853030443.db2.gz RBPRSAWVWQADIQ-FQEVSTJZSA-N 0 1 412.877 4.296 20 5 HIBDMN COc1ccc(NC(=O)CNC(C)(C)c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000110081795 853058148 /nfs/dbraw/zinc/05/81/48/853058148.db2.gz OBXKOVOMYXKDDQ-UHFFFAOYSA-N 0 1 412.273 4.374 20 5 HIBDMN C[C@H]1CN(Cc2ccc(CNc3nc4ccc([N+](=O)[O-])cc4s3)cc2)C[C@H](C)O1 ZINC000111193816 853219036 /nfs/dbraw/zinc/21/90/36/853219036.db2.gz YQZZIAXGUHNXQB-GJZGRUSLSA-N 0 1 412.515 4.426 20 5 HIBDMN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(CN3CCSCC3)c2)c1 ZINC000138622990 853393382 /nfs/dbraw/zinc/39/33/82/853393382.db2.gz QQPLTKJCXKRRPG-UHFFFAOYSA-N 0 1 403.529 4.118 20 5 HIBDMN Cc1c(CN2CCSCC2)cccc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000147395386 853587787 /nfs/dbraw/zinc/58/77/87/853587787.db2.gz WFQGXRRAHNSSFE-UHFFFAOYSA-N 0 1 405.907 4.358 20 5 HIBDMN Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)cc1[N+](=O)[O-] ZINC000216131510 853845281 /nfs/dbraw/zinc/84/52/81/853845281.db2.gz KVFLLDJXAJNRBM-UHFFFAOYSA-N 0 1 405.657 4.120 20 5 HIBDMN CC(C)N1CC[C@@H](NCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1=O ZINC000236615591 853902512 /nfs/dbraw/zinc/90/25/12/853902512.db2.gz QVVTZTKUHBHLKW-QGZVFWFLSA-N 0 1 403.866 4.139 20 5 HIBDMN CCCOc1c(Br)cc(CNCc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000236994476 853948219 /nfs/dbraw/zinc/94/82/19/853948219.db2.gz UVRZPDAWZWOIAR-UHFFFAOYSA-N 0 1 409.280 4.445 20 5 HIBDMN CN(C)[C@@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1c(F)cccc1F ZINC000237178199 853976239 /nfs/dbraw/zinc/97/62/39/853976239.db2.gz NOKRXEJGJHVOLT-SFHVURJKSA-N 0 1 418.469 4.389 20 5 HIBDMN O=[N+]([O-])c1ccc(-c2ccc(CNCc3cccc(CO)c3)o2)c(Br)c1 ZINC000237987676 854129629 /nfs/dbraw/zinc/12/96/29/854129629.db2.gz BZGXQXIPBJBEKW-UHFFFAOYSA-N 0 1 417.259 4.399 20 5 HIBDMN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSc1nc2ccc(Cl)cc2[nH]1 ZINC000261450285 854266524 /nfs/dbraw/zinc/26/65/24/854266524.db2.gz PGGCALZAGRXSLG-UHFFFAOYSA-N 0 1 404.835 4.215 20 5 HIBDMN Cc1cc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302135132 854534860 /nfs/dbraw/zinc/53/48/60/854534860.db2.gz CYBAGARZVLYFQL-HNNXBMFYSA-N 0 1 400.479 4.193 20 5 HIBDMN COc1ccc(-c2n[nH]c(Sc3cc(C)c([N+](=O)[O-])cn3)n2)cc1Br ZINC000302667122 854600843 /nfs/dbraw/zinc/60/08/43/854600843.db2.gz JQJOXUIRYKVSIK-UHFFFAOYSA-N 0 1 422.264 4.006 20 5 HIBDMN Cc1ccccc1CN(Cc1ccccn1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000303525171 855012432 /nfs/dbraw/zinc/01/24/32/855012432.db2.gz QDJVTKYZXCTFLN-UHFFFAOYSA-N 0 1 401.426 4.017 20 5 HIBDMN COc1ccc(CN2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)cc1[N+](=O)[O-] ZINC000303870087 855261483 /nfs/dbraw/zinc/26/14/83/855261483.db2.gz NMMFIIARVKMHBE-UHFFFAOYSA-N 0 1 423.513 4.007 20 5 HIBDMN Cc1sc(Br)cc1S(=O)(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000317641189 855381697 /nfs/dbraw/zinc/38/16/97/855381697.db2.gz QEJXYQUHBCGPMA-UHFFFAOYSA-N 0 1 405.295 4.145 20 5 HIBDMN Cc1ccc([C@@H](CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)N2CCCC2)o1 ZINC000426295568 856227262 /nfs/dbraw/zinc/22/72/62/856227262.db2.gz NVYYLRVGDGTTBI-HXUWFJFHSA-N 0 1 412.490 4.007 20 5 HIBDMN O=C([O-])c1csc(C[NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)n1 ZINC000426671201 856404527 /nfs/dbraw/zinc/40/45/27/856404527.db2.gz VDIHCLBZVMBICT-UHFFFAOYSA-N 0 1 419.846 4.485 20 5 HIBDMN O=C([O-])C[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(F)cc1F ZINC000426811082 856491336 /nfs/dbraw/zinc/49/13/36/856491336.db2.gz RVNFPDSKKISUOT-KRWDZBQOSA-N 0 1 402.353 4.439 20 5 HIBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000437465980 862827976 /nfs/dbraw/zinc/82/79/76/862827976.db2.gz HRNURRAGCWIWSL-ZWKOTPCHSA-N 0 1 413.543 4.198 20 5 HIBDMN COC[C@H](NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000433210013 859568440 /nfs/dbraw/zinc/56/84/40/859568440.db2.gz ZQMIFUHFDHKIJU-LPHOPBHVSA-N 0 1 406.866 4.324 20 5 HIBDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000435541415 860856356 /nfs/dbraw/zinc/85/63/56/860856356.db2.gz YFAZWRDVCUAFKC-QGZVFWFLSA-N 0 1 420.513 4.193 20 5 HIBDMN CC1CCN(c2ccc(C(=O)Nc3ccc(F)c(-c4nc[nH]n4)c3)cc2[N+](=O)[O-])CC1 ZINC000439277400 864695813 /nfs/dbraw/zinc/69/58/13/864695813.db2.gz UJKHBEDRCVPGMO-UHFFFAOYSA-N 0 1 424.436 4.008 20 5 HIBDMN O=[N+]([O-])c1cccc(Cl)c1CN[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000439437460 864831703 /nfs/dbraw/zinc/83/17/03/864831703.db2.gz KNQVPSBIVJBKOR-OAHLLOKOSA-N 0 1 411.771 4.264 20 5 HIBDMN CC(C)(C)OC(=O)[C@@]12CCC[C@H]1CN(Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000439471756 864843537 /nfs/dbraw/zinc/84/35/37/864843537.db2.gz QHQDSYHEDKFDHN-KSFYIVLOSA-N 0 1 413.474 4.194 20 5 HIBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CNC1(c2cccc(Br)c2)CCC1 ZINC000439730339 865062903 /nfs/dbraw/zinc/06/29/03/865062903.db2.gz UVGFVSLIVQYZAM-UHFFFAOYSA-N 0 1 418.291 4.273 20 5 HIBDMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000439751085 865080451 /nfs/dbraw/zinc/08/04/51/865080451.db2.gz WIEHEJQVGXXCFV-AWEZNQCLSA-N 0 1 410.499 4.160 20 5 HIBDMN CC(C)c1ccc(C(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000439752380 865082377 /nfs/dbraw/zinc/08/23/77/865082377.db2.gz UZJXHAGVGUUZEV-SFHVURJKSA-N 0 1 405.458 4.481 20 5 HIBDMN CC(C)c1ccc(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)cc1[N+](=O)[O-] ZINC000439752380 865082385 /nfs/dbraw/zinc/08/23/85/865082385.db2.gz UZJXHAGVGUUZEV-SFHVURJKSA-N 0 1 405.458 4.481 20 5 HIBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(c2ccccc2Br)CC1 ZINC000439979789 865278164 /nfs/dbraw/zinc/27/81/64/865278164.db2.gz ONRDCOIJJRAWBV-UHFFFAOYSA-N 0 1 405.248 4.083 20 5 HIBDMN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000440733232 865880579 /nfs/dbraw/zinc/88/05/79/865880579.db2.gz OSQLBDXSFLWOPB-QGZVFWFLSA-N 0 1 414.849 4.257 20 5 HIBDMN C[C@H](OC[C@H](O)CN(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(Cl)cc1 ZINC000441257021 866330918 /nfs/dbraw/zinc/33/09/18/866330918.db2.gz ANMSANZZOVISGC-MGPUTAFESA-N 0 1 404.894 4.351 20 5 HIBDMN C[C@H](c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1)N1[C@H](C)CC[C@H]1C ZINC000443221770 867880439 /nfs/dbraw/zinc/88/04/39/867880439.db2.gz HHIQKJISSGUATO-IJLUTSLNSA-N 0 1 409.284 4.265 20 5 HIBDMN O=C(CC(=Cc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NCc1cnc[nH]1 ZINC000443371953 867934841 /nfs/dbraw/zinc/93/48/41/867934841.db2.gz IWLMYJUYTFCNTC-OQLLNIDSSA-N 0 1 419.466 4.175 20 5 HIBDMN CCc1[nH]nc(C(=O)N2CCc3ccccc3[C@@H](c3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000444336300 868763671 /nfs/dbraw/zinc/76/36/71/868763671.db2.gz JREQBMHZEOEXJP-MGPUTAFESA-N 0 1 404.470 4.099 20 5 HIBDMN CCc1[nH]nc(C(=O)N2CCc3ccccc3[C@H](c3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000444336303 868764370 /nfs/dbraw/zinc/76/43/70/868764370.db2.gz JREQBMHZEOEXJP-QRWLVFNGSA-N 0 1 404.470 4.099 20 5 HIBDMN CCc1[nH]nc(C(=O)N(C)[C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000444353619 868781441 /nfs/dbraw/zinc/78/14/41/868781441.db2.gz UGVYDLOUNGNKTE-UKRRQHHQSA-N 0 1 410.396 4.307 20 5 HIBDMN CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444597735 868897187 /nfs/dbraw/zinc/89/71/87/868897187.db2.gz ORIWWFAIKJCRNQ-UHFFFAOYSA-N 0 1 408.437 4.065 20 5 HIBDMN Cc1c(NC(=O)CCN[C@H](C)c2nc3ccccc3n2C(F)F)cccc1[N+](=O)[O-] ZINC000444663585 868942305 /nfs/dbraw/zinc/94/23/05/868942305.db2.gz YXXYSIDNMYDIOS-CYBMUJFWSA-N 0 1 417.416 4.327 20 5 HIBDMN C[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2n1C(F)F ZINC000444677076 868953209 /nfs/dbraw/zinc/95/32/09/868953209.db2.gz PFSHMUXSZVVCOZ-LBPRGKRZSA-N 0 1 403.389 4.019 20 5 HIBDMN C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Br)s1 ZINC000444763440 868991331 /nfs/dbraw/zinc/99/13/31/868991331.db2.gz DDHVXHIWGJTNHS-QMMMGPOBSA-N 0 1 418.700 4.362 20 5 HIBDMN C[C@H]1C[C@@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CN1Cc1ccccc1 ZINC000444990853 869148130 /nfs/dbraw/zinc/14/81/30/869148130.db2.gz JQJBOVLBLYISRC-PKOBYXMFSA-N 0 1 411.505 4.074 20 5 HIBDMN CCOc1cc(-c2noc(-c3cc(OC)c(OC)c([N+](=O)[O-])c3)n2)cc(Cl)c1O ZINC000445403957 869488122 /nfs/dbraw/zinc/48/81/22/869488122.db2.gz AQFZZJJEXYYHBV-UHFFFAOYSA-N 0 1 421.793 4.087 20 5 HIBDMN COc1ccccc1[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1C)N1CCCCC1 ZINC000446499979 870418157 /nfs/dbraw/zinc/41/81/57/870418157.db2.gz UCJLHWRJDDLLBR-FQEVSTJZSA-N 0 1 412.490 4.261 20 5 HIBDMN O=C([N-]c1c[nH+]ccc1-n1cccn1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000447421613 871326172 /nfs/dbraw/zinc/32/61/72/871326172.db2.gz HOFFBPSPCVMTGU-UHFFFAOYSA-N 0 1 415.409 4.007 20 5 HIBDMN CC[C@@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1OCC(=O)N(C)C ZINC000447528934 871393385 /nfs/dbraw/zinc/39/33/85/871393385.db2.gz KAQYHPYTRIXFMI-RTWAWAEBSA-N 0 1 411.502 4.180 20 5 HIBDMN CC[C@@H](NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000447554417 871434949 /nfs/dbraw/zinc/43/49/49/871434949.db2.gz VQXBKCUXTHIMDG-MRXNPFEDSA-N 0 1 416.421 4.258 20 5 HIBDMN CN1CCO[C@H]([C@@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c2ccc(Cl)cc2)C1 ZINC000447585995 871492621 /nfs/dbraw/zinc/49/26/21/871492621.db2.gz MDYHRBWYVZQMFA-FSSWDIPSSA-N 0 1 415.921 4.287 20 5 HIBDMN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCCc1nc2ccc(F)cc2[nH]1 ZINC000447673547 871602232 /nfs/dbraw/zinc/60/22/32/871602232.db2.gz YUTXRRJMPRWNEV-UHFFFAOYSA-N 0 1 419.285 4.314 20 5 HIBDMN CN(C)[C@H]1CCOc2c(NC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)cccc21 ZINC000468875822 882909666 /nfs/dbraw/zinc/90/96/66/882909666.db2.gz FOQJLQBVNBUGDC-SFHVURJKSA-N 0 1 424.482 4.356 20 5 HIBDMN O=C1C[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CN1[C@@H]1C[C@@H]1c1ccccc1 ZINC000462756775 875821072 /nfs/dbraw/zinc/82/10/72/875821072.db2.gz PNSMUEOBOWESBQ-VLCRHTCISA-N 0 1 417.465 4.101 20 5 HIBDMN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463093668 876126250 /nfs/dbraw/zinc/12/62/50/876126250.db2.gz NFYUQXZPUIADSR-MRXNPFEDSA-N 0 1 407.392 4.008 20 5 HIBDMN Cc1ncc([N+](=O)[O-])cc1-c1nc(-c2ccc3[nH]c(-c4cscn4)nc3c2)no1 ZINC000463175363 876231188 /nfs/dbraw/zinc/23/11/88/876231188.db2.gz BAYAKNWFGGRDAU-UHFFFAOYSA-N 0 1 405.399 4.015 20 5 HIBDMN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000463949302 877071611 /nfs/dbraw/zinc/07/16/11/877071611.db2.gz KGMKFUUTUKJFEI-QGZVFWFLSA-N 0 1 420.473 4.408 20 5 HIBDMN COc1cccc([C@@H](CNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)N2CCCC2)c1 ZINC000463973819 877101667 /nfs/dbraw/zinc/10/16/67/877101667.db2.gz HITWMFAGDCEBLZ-OAQYLSRUSA-N 0 1 412.490 4.179 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1C ZINC000467425278 881215482 /nfs/dbraw/zinc/21/54/82/881215482.db2.gz NNNMPLZQTZJLDX-HNNXBMFYSA-N 0 1 419.503 4.091 20 5 HIBDMN CN(C)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1cccc(C(F)(F)F)c1 ZINC000469104150 883194592 /nfs/dbraw/zinc/19/45/92/883194592.db2.gz VGHLLJRQVGPSSC-INIZCTEOSA-N 0 1 414.359 4.177 20 5 HIBDMN CCOc1ccc([C@@H](C)N[C@H](Cn2ccccc2=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000503921408 912866104 /nfs/dbraw/zinc/86/61/04/912866104.db2.gz UXIPBKOBDAZOLE-YLJYHZDGSA-N 0 1 407.470 4.247 20 5 HIBDMN CC(C)c1ccc(C(=O)N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)cc1[N+](=O)[O-] ZINC000473842436 888685163 /nfs/dbraw/zinc/68/51/63/888685163.db2.gz JQYGGLVKCRJARN-UHFFFAOYSA-N 0 1 410.396 4.480 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCC[C@H]1c1nc2ccccc2o1 ZINC000474220090 889058238 /nfs/dbraw/zinc/05/82/38/889058238.db2.gz SGZHKCOZOHNGJH-SFHVURJKSA-N 0 1 424.457 4.300 20 5 HIBDMN COC(=O)COc1ccc(CN[C@H](C)c2ccc(-c3cccnc3)cc2)cc1[N+](=O)[O-] ZINC000474344514 889219761 /nfs/dbraw/zinc/21/97/61/889219761.db2.gz AVUIQVOKAVWPEA-MRXNPFEDSA-N 0 1 421.453 4.059 20 5 HIBDMN COC(=O)COc1ccc(CN[C@H](c2ccccc2Cl)C(C)C)cc1[N+](=O)[O-] ZINC000474350184 889229004 /nfs/dbraw/zinc/22/90/04/889229004.db2.gz BGBSLZDUADVVSY-FQEVSTJZSA-N 0 1 406.866 4.287 20 5 HIBDMN COC(=O)COc1ccc(CN[C@H](C)c2ccc(-c3ccncc3)cc2)cc1[N+](=O)[O-] ZINC000474370688 889249828 /nfs/dbraw/zinc/24/98/28/889249828.db2.gz WDRHDPYUKWCGPN-MRXNPFEDSA-N 0 1 421.453 4.059 20 5 HIBDMN CN(C)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccsc1 ZINC000475200966 890069825 /nfs/dbraw/zinc/06/98/25/890069825.db2.gz CQOUHINGEMVCQT-CQSZACIVSA-N 0 1 402.398 4.100 20 5 HIBDMN COC(=O)COc1ccc(CN(Cc2ccoc2)C2CCCCC2)cc1[N+](=O)[O-] ZINC000475705732 890643785 /nfs/dbraw/zinc/64/37/85/890643785.db2.gz WCPCONPFTPUMBE-UHFFFAOYSA-N 0 1 402.447 4.075 20 5 HIBDMN CCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000476216453 891145249 /nfs/dbraw/zinc/14/52/49/891145249.db2.gz AXDZZIFQKJMOKZ-NRFANRHFSA-N 0 1 409.417 4.395 20 5 HIBDMN CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000476240394 891163747 /nfs/dbraw/zinc/16/37/47/891163747.db2.gz UJLPLEYKQPIOQB-OAHLLOKOSA-N 0 1 423.288 4.372 20 5 HIBDMN CCOc1ccc([C@H](C)NCc2ccc(NC(=O)c3cccnc3)cc2)cc1[N+](=O)[O-] ZINC000504900007 913632508 /nfs/dbraw/zinc/63/25/08/913632508.db2.gz PNSKZNJJCTUXNV-INIZCTEOSA-N 0 1 420.469 4.492 20 5 HIBDMN COc1ccccc1[C@H](CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])N1CCCC1 ZINC000477309379 892272226 /nfs/dbraw/zinc/27/22/26/892272226.db2.gz HAXVWJJNNUUXJT-SFHVURJKSA-N 0 1 417.893 4.132 20 5 HIBDMN CCc1nc([C@@H](C)NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)n[nH]1 ZINC000477567320 892624396 /nfs/dbraw/zinc/62/43/96/892624396.db2.gz WRPQRORCZDIVCN-LLVKDONJSA-N 0 1 415.837 4.212 20 5 HIBDMN Cc1c(CN[C@@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)cccc1[N+](=O)[O-] ZINC000478493760 893811769 /nfs/dbraw/zinc/81/17/69/893811769.db2.gz SYHFUXUZFAPCEE-INIZCTEOSA-N 0 1 402.516 4.470 20 5 HIBDMN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000478978295 894255622 /nfs/dbraw/zinc/25/56/22/894255622.db2.gz UPVCPDDQRJSQSB-INIZCTEOSA-N 0 1 407.561 4.437 20 5 HIBDMN CCc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cnn1-c1ccccc1C ZINC000480196336 895593341 /nfs/dbraw/zinc/59/33/41/895593341.db2.gz DIIHFAUYNRCIEK-UHFFFAOYSA-N 0 1 420.878 4.106 20 5 HIBDMN CO[C@H](c1ccccc1Cl)[C@@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000481361816 896741440 /nfs/dbraw/zinc/74/14/40/896741440.db2.gz SISVJDLQCBGKEQ-ZMZPIMSZSA-N 0 1 412.273 4.206 20 5 HIBDMN Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)C[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000481516983 896884445 /nfs/dbraw/zinc/88/44/45/896884445.db2.gz OIXQVUGXDRCVCY-COPCDDAFSA-N 0 1 411.502 4.066 20 5 HIBDMN COc1ccc(CNCc2cn(Cc3ccccc3)nc2C(C)(C)C)cc1[N+](=O)[O-] ZINC000482607910 898208815 /nfs/dbraw/zinc/20/88/15/898208815.db2.gz SKFIMVNDFSMVRV-UHFFFAOYSA-N 0 1 408.502 4.436 20 5 HIBDMN O=[N+]([O-])c1cccc(F)c1CN1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000505590010 914296677 /nfs/dbraw/zinc/29/66/77/914296677.db2.gz JNEAKNSAHKKKAY-UHFFFAOYSA-N 0 1 411.399 4.461 20 5 HIBDMN O=C(N[C@@H](COc1ccccc1F)c1ccccc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000485258202 900544136 /nfs/dbraw/zinc/54/41/36/900544136.db2.gz ONRNKULDKURKDU-IBGZPJMESA-N 0 1 420.400 4.160 20 5 HIBDMN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000505805476 914466611 /nfs/dbraw/zinc/46/66/11/914466611.db2.gz RGZQPELFMRNFBC-SFHVURJKSA-N 0 1 405.495 4.269 20 5 HIBDMN CCCCc1nc(C(=O)OCC)c(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])[nH]1 ZINC000485701635 900950474 /nfs/dbraw/zinc/95/04/74/900950474.db2.gz LMEQPLNIHNUEIZ-UHFFFAOYSA-N 0 1 408.842 4.051 20 5 HIBDMN O=C(c1[nH]nc2ccc(Br)cc21)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000486011252 901221397 /nfs/dbraw/zinc/22/13/97/901221397.db2.gz BFWSCTYJYCLZAR-UHFFFAOYSA-N 0 1 415.247 4.038 20 5 HIBDMN CSc1cccc(C(=O)Nc2cccc(CN3CCSCC3)c2)c1[N+](=O)[O-] ZINC000486240913 901423860 /nfs/dbraw/zinc/42/38/60/901423860.db2.gz RNCRSBQNEIULES-UHFFFAOYSA-N 0 1 403.529 4.118 20 5 HIBDMN O=[N+]([O-])c1ccc(CN2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)c(Cl)c1 ZINC000486446589 901605006 /nfs/dbraw/zinc/60/50/06/901605006.db2.gz OEQMPVDZIXNVDO-FOIQADDNSA-N 0 1 402.882 4.137 20 5 HIBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000486614347 901750500 /nfs/dbraw/zinc/75/05/00/901750500.db2.gz ITAYXUXYDLQIHQ-NSHDSACASA-N 0 1 402.813 4.111 20 5 HIBDMN C[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(Oc2cccnc2)cc1 ZINC000487891863 902432699 /nfs/dbraw/zinc/43/26/99/902432699.db2.gz DGYLFAQONYRTMJ-CVEARBPZSA-N 0 1 406.442 4.460 20 5 HIBDMN C[C@H](N[C@@H](C)c1ccc(Oc2cccnc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000487915468 902447405 /nfs/dbraw/zinc/44/74/05/902447405.db2.gz KVDBGIJPMSDSIH-HOTGVXAUSA-N 0 1 406.442 4.460 20 5 HIBDMN Cc1ccc([C@H](C)NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000489293091 903314588 /nfs/dbraw/zinc/31/45/88/903314588.db2.gz PWLFLSXHNJIDFO-INIZCTEOSA-N 0 1 414.481 4.067 20 5 HIBDMN CSc1ccc(C(=O)Nc2cccc(CN3CCSCC3)c2)cc1[N+](=O)[O-] ZINC000489436816 903383875 /nfs/dbraw/zinc/38/38/75/903383875.db2.gz XRCFDJXDACNPKK-UHFFFAOYSA-N 0 1 403.529 4.118 20 5 HIBDMN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)cc1OC ZINC000489781970 903595325 /nfs/dbraw/zinc/59/53/25/903595325.db2.gz VCLWHLIKTTTXPT-UHFFFAOYSA-N 0 1 422.397 4.391 20 5 HIBDMN O=C(NC[C@H](c1ccco1)N1CCCCC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000489870399 903641686 /nfs/dbraw/zinc/64/16/86/903641686.db2.gz JZFZGEGJNQQPAI-HXUWFJFHSA-N 0 1 412.490 4.089 20 5 HIBDMN C[C@@H](Sc1ccccc1Cl)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000490367900 903959285 /nfs/dbraw/zinc/95/92/85/903959285.db2.gz MRBYQAJIOJVBNK-SNVBAGLBSA-N 0 1 403.851 4.153 20 5 HIBDMN O=C(NCc1nc2ccc(F)cc2[nH]1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000491024995 904377905 /nfs/dbraw/zinc/37/79/05/904377905.db2.gz BJCHFWURWFJDRJ-UHFFFAOYSA-N 0 1 419.416 4.152 20 5 HIBDMN COc1cc(CN2CCC(c3ccc(O)cc3)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491110666 904433628 /nfs/dbraw/zinc/43/36/28/904433628.db2.gz CTLSQOFFWKROLX-UHFFFAOYSA-N 0 1 422.428 4.333 20 5 HIBDMN O=[N+]([O-])c1cccc(-c2nc(CN3CCC[C@@H](c4nnc5ccccn54)C3)cs2)c1 ZINC000506127335 914814199 /nfs/dbraw/zinc/81/41/99/914814199.db2.gz ZFEGDCIGWAKFRT-MRXNPFEDSA-N 0 1 420.498 4.141 20 5 HIBDMN CC(C)(NCc1cc(Br)c2c(c1)OCCO2)c1ccccc1[N+](=O)[O-] ZINC000492192134 904812104 /nfs/dbraw/zinc/81/21/04/904812104.db2.gz DUAVRUJLPHHAGE-UHFFFAOYSA-N 0 1 407.264 4.153 20 5 HIBDMN Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506206817 914844961 /nfs/dbraw/zinc/84/49/61/914844961.db2.gz NPTJCISAEDJIRA-SNVBAGLBSA-N 0 1 401.419 4.362 20 5 HIBDMN CC(=O)N1CC[C@@H](NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c2ccccc2C1 ZINC000494443419 905729488 /nfs/dbraw/zinc/72/94/88/905729488.db2.gz BGJOZGYMDOGHSR-LJQANCHMSA-N 0 1 407.392 4.197 20 5 HIBDMN COc1ccc([C@@H](C)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1NC(C)=O ZINC000494483142 905766489 /nfs/dbraw/zinc/76/64/89/905766489.db2.gz HRCKIXORUMIUQS-LLVKDONJSA-N 0 1 411.380 4.431 20 5 HIBDMN CSc1ccc(C(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000497123007 906809685 /nfs/dbraw/zinc/80/96/85/906809685.db2.gz FLMDJNLVQXAPOJ-OAHLLOKOSA-N 0 1 409.471 4.079 20 5 HIBDMN CSc1ccc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)cc1[N+](=O)[O-] ZINC000497123007 906809694 /nfs/dbraw/zinc/80/96/94/906809694.db2.gz FLMDJNLVQXAPOJ-OAHLLOKOSA-N 0 1 409.471 4.079 20 5 HIBDMN O=C(c1ccc(Nc2ccncc2)cc1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498149009 907672841 /nfs/dbraw/zinc/67/28/41/907672841.db2.gz AXPZDNAKTZFXGH-NRFANRHFSA-N 0 1 406.467 4.043 20 5 HIBDMN O=C(Nc1ccccc1-c1nnc[nH]1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000512856855 921359688 /nfs/dbraw/zinc/35/96/88/921359688.db2.gz SQGGABGJAIAKRU-UHFFFAOYSA-N 0 1 400.398 4.376 20 5 HIBDMN COCCn1cc(CNCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cn1 ZINC000500380361 909826751 /nfs/dbraw/zinc/82/67/51/909826751.db2.gz YIEFURKVRPWSJH-UHFFFAOYSA-N 0 1 416.865 4.173 20 5 HIBDMN O=C(Nc1c[nH]nc1[C@H]1CCCN(CC=Cc2ccccc2[N+](=O)[O-])C1)C1CCCC1 ZINC000501717318 910784885 /nfs/dbraw/zinc/78/48/85/910784885.db2.gz UHFFTQNFYMZLFZ-GSXXRBPTSA-N 0 1 423.517 4.339 20 5 HIBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N(Cc1csc(Br)c1)C1CC1 ZINC000502416730 911397595 /nfs/dbraw/zinc/39/75/95/911397595.db2.gz PSCPYYWTEARRFP-UHFFFAOYSA-N 0 1 421.276 4.100 20 5 HIBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(CCC(F)(F)F)cc1 ZINC000503026895 911998733 /nfs/dbraw/zinc/99/87/33/911998733.db2.gz HYJPVHVIKJILTF-UHFFFAOYSA-N 0 1 405.336 4.127 20 5 HIBDMN COc1ccc(Cl)cc1C[C@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000506490044 915097760 /nfs/dbraw/zinc/09/77/60/915097760.db2.gz WXQKSTFQLKUDEC-CYBMUJFWSA-N 0 1 404.850 4.057 20 5 HIBDMN COc1ccc([C@@H]2CCCN2Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c(OC)c1 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407.392 4.065 20 5 HIBDMN COc1ccc(-c2ccc(CN[C@@]3(CO)CCCc4ccccc43)o2)c([N+](=O)[O-])c1 ZINC000441336044 866407064 /nfs/dbraw/zinc/40/70/64/866407064.db2.gz GXPLVRVFONKVQC-HSZRJFAPSA-N 0 1 408.454 4.177 20 5 HIBDMN O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCC(c2cnc[nH]2)CC1 ZINC000442691008 867624372 /nfs/dbraw/zinc/62/43/72/867624372.db2.gz LDZAXIYQAOTMHH-UHFFFAOYSA-N 0 1 408.483 4.489 20 5 HIBDMN CO[C@@H](C)c1nc(CN2CCCN([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)cs1 ZINC000468238933 882134350 /nfs/dbraw/zinc/13/43/50/882134350.db2.gz ZLYCCUSPIKPVRX-HOTGVXAUSA-N 0 1 404.536 4.028 20 5 HIBDMN O=C(CC(=Cc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NCc1cnc[nH]1 ZINC000443371951 867933744 /nfs/dbraw/zinc/93/37/44/867933744.db2.gz IWLMYJUYTFCNTC-DHDCSXOGSA-N 0 1 419.466 4.175 20 5 HIBDMN Cc1cc(N(C)C)cc(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000443407685 867990064 /nfs/dbraw/zinc/99/00/64/867990064.db2.gz FFUYPYQECYRNQN-UHFFFAOYSA-N 0 1 417.409 4.097 20 5 HIBDMN 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/nfs/dbraw/zinc/81/52/64/875815264.db2.gz QKMQJVGIYWUNON-YUXAGFNASA-N 0 1 417.465 4.101 20 5 HIBDMN Cc1c(CN[C@H](C)c2ccc(Br)cc2OCCCO)cccc1[N+](=O)[O-] ZINC000463363114 876418247 /nfs/dbraw/zinc/41/82/47/876418247.db2.gz WHKFKRNIYCKVKR-CQSZACIVSA-N 0 1 423.307 4.278 20 5 HIBDMN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1nc2ccc(Br)cc2[nH]1 ZINC000464554133 877771602 /nfs/dbraw/zinc/77/16/02/877771602.db2.gz LLENMMFQMCZWDT-UHFFFAOYSA-N 0 1 418.251 4.064 20 5 HIBDMN CN(C)[C@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1cccc(C(F)(F)F)c1 ZINC000469755073 883918433 /nfs/dbraw/zinc/91/84/33/883918433.db2.gz FSXCYSYREUVBJX-QGZVFWFLSA-N 0 1 420.391 4.128 20 5 HIBDMN COc1cccc([C@@H]2[C@@H](NC(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)CCN2C2CC2)c1 ZINC000471937585 886734028 /nfs/dbraw/zinc/73/40/28/886734028.db2.gz SUFHXOLWVWXCIK-SIKLNZKXSA-N 0 1 424.501 4.320 20 5 HIBDMN COC(=O)COc1ccc(CN[C@@H](C)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000474366492 889244390 /nfs/dbraw/zinc/24/43/90/889244390.db2.gz FMPFRUUMZAVNCY-LBPRGKRZSA-N 0 1 412.364 4.016 20 5 HIBDMN O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1cc(F)cc(Cl)c1O ZINC000474444957 889310972 /nfs/dbraw/zinc/31/09/72/889310972.db2.gz JPNWJQXYQWNQAM-UHFFFAOYSA-N 0 1 403.591 4.037 20 5 HIBDMN O=C(NC[C@@H](c1ccco1)N1CCCC1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475194719 890063177 /nfs/dbraw/zinc/06/31/77/890063177.db2.gz ZGGRVBDOLAJAPV-HNNXBMFYSA-N 0 1 412.368 4.165 20 5 HIBDMN CN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475314157 890230014 /nfs/dbraw/zinc/23/00/14/890230014.db2.gz RVTHWOBNUSPKNK-LJQANCHMSA-N 0 1 422.510 4.065 20 5 HIBDMN Cc1ccc([C@H](N[C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccn2)cc1 ZINC000475338985 890260482 /nfs/dbraw/zinc/26/04/82/890260482.db2.gz PHOHXQQMVHIBSJ-SBUREZEXSA-N 0 1 404.470 4.395 20 5 HIBDMN COc1cccc([C@@H](CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)N2CCCC2)c1 ZINC000475580034 890509697 /nfs/dbraw/zinc/50/96/97/890509697.db2.gz CNSVZHUOJBTKTB-OAQYLSRUSA-N 0 1 412.490 4.179 20 5 HIBDMN C[C@H]1CN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C[C@@]2(CCOC2)O1 ZINC000475627345 890565135 /nfs/dbraw/zinc/56/51/35/890565135.db2.gz QVNXCLAKLQMCQL-YCRPNKLZSA-N 0 1 418.877 4.420 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)c1cc2cccc(F)c2o1 ZINC000475701428 890639818 /nfs/dbraw/zinc/63/98/18/890639818.db2.gz LSAPDXJRWDOJOU-NEPJUHHUSA-N 0 1 401.394 4.167 20 5 HIBDMN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCc2cc(-c3ccccc3)oc2C1 ZINC000477062665 891994582 /nfs/dbraw/zinc/99/45/82/891994582.db2.gz HNCCVWGPMLUZCT-UHFFFAOYSA-N 0 1 419.437 4.211 20 5 HIBDMN CCOc1ccc([C@H](C)NCc2ccc(C)cc2O[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000504920039 913657042 /nfs/dbraw/zinc/65/70/42/913657042.db2.gz MLNMTAULUSHTIP-QFBILLFUSA-N 0 1 400.475 4.320 20 5 HIBDMN O=C(CNC1(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000477543608 892584034 /nfs/dbraw/zinc/58/40/34/892584034.db2.gz SPMRZJZJVSUISK-UHFFFAOYSA-N 0 1 413.783 4.484 20 5 HIBDMN CCCc1[nH]nc(C(=O)N2CC=C(c3ccccc3C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000478435141 893736004 /nfs/dbraw/zinc/73/60/04/893736004.db2.gz UXPDVYIREBYVCM-UHFFFAOYSA-N 0 1 408.380 4.219 20 5 HIBDMN O=C(N[C@@H]1CCOc2c(-c3ccccc3)cccc21)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000505181199 913866957 /nfs/dbraw/zinc/86/69/57/913866957.db2.gz ZQPLXMXCHLILPN-LJQANCHMSA-N 0 1 414.421 4.392 20 5 HIBDMN Cn1ccnc1C(=O)c1ccc(Sc2nc3ccc(Cl)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000480430531 895824032 /nfs/dbraw/zinc/82/40/32/895824032.db2.gz HQZHQNBKBFPIMO-UHFFFAOYSA-N 0 1 413.846 4.240 20 5 HIBDMN CO[C@@H](c1ccccc1Cl)[C@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000481361814 896741001 /nfs/dbraw/zinc/74/10/01/896741001.db2.gz SISVJDLQCBGKEQ-BBATYDOGSA-N 0 1 412.273 4.206 20 5 HIBDMN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccc(OC)c1)N(C)C ZINC000505501947 914189066 /nfs/dbraw/zinc/18/90/66/914189066.db2.gz AWBKAGJVXDUYIP-LJQANCHMSA-N 0 1 417.531 4.138 20 5 HIBDMN C[C@H]1CCCCN1CC(=O)Nc1ccc(F)c(NCc2cccc([N+](=O)[O-])c2)c1 ZINC000482664595 898267015 /nfs/dbraw/zinc/26/70/15/898267015.db2.gz PQYCANPATONHKF-HNNXBMFYSA-N 0 1 400.454 4.159 20 5 HIBDMN CO[C@@H]1CCCC[C@@H]1N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000483731720 899391375 /nfs/dbraw/zinc/39/13/75/899391375.db2.gz PWSIGIMMVGPVIG-XUVXKRRUSA-N 0 1 417.893 4.475 20 5 HIBDMN COc1ccc(Cl)cc1-c1n[nH]c(SCc2ccc([N+](=O)[O-])c(OC)c2)n1 ZINC000484512953 900003621 /nfs/dbraw/zinc/00/36/21/900003621.db2.gz HQAPBTYSVVBXTK-UHFFFAOYSA-N 0 1 406.851 4.343 20 5 HIBDMN COCc1ccccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1Nc1ccccc1 ZINC000484639772 900087996 /nfs/dbraw/zinc/08/79/96/900087996.db2.gz DYWUDIHTIXQALY-UHFFFAOYSA-N 0 1 413.455 4.286 20 5 HIBDMN CC(C)(C)c1ccc(Oc2ccc(CN3CCC(C(N)=O)CC3)cc2[N+](=O)[O-])cc1 ZINC000505907727 914551456 /nfs/dbraw/zinc/55/14/56/914551456.db2.gz PRHRUTBIZZUUBY-UHFFFAOYSA-N 0 1 411.502 4.382 20 5 HIBDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)C(C)(C)c4ccccc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000486925433 901968806 /nfs/dbraw/zinc/96/88/06/901968806.db2.gz 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COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(=Cc2ccccc2F)CC1 ZINC000464879840 878173340 /nfs/dbraw/zinc/17/33/40/878173340.db2.gz QHRCRSHYAQDBLV-UHFFFAOYSA-N 0 1 413.449 4.251 20 5 HIBDMN O=C(NCC1CCN(Cc2ccccc2Cl)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000467100711 880862649 /nfs/dbraw/zinc/86/26/49/880862649.db2.gz KUBDHZAIHJFAKF-UHFFFAOYSA-N 0 1 405.857 4.029 20 5 HIBDMN O=C(NCc1nc2ccc(F)cc2[nH]1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000467499260 881314655 /nfs/dbraw/zinc/31/46/55/881314655.db2.gz QIZLSZSCTCHQBA-UHFFFAOYSA-N 0 1 405.389 4.284 20 5 HIBDMN CN(C)[C@@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1cccc(C(F)(F)F)c1 ZINC000469755072 883917804 /nfs/dbraw/zinc/91/78/04/883917804.db2.gz FSXCYSYREUVBJX-KRWDZBQOSA-N 0 1 420.391 4.128 20 5 HIBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(CN2CCSCC2)ccc1C ZINC000470880265 885370931 /nfs/dbraw/zinc/37/09/31/885370931.db2.gz OPRIEEZUKPPLEU-UHFFFAOYSA-N 0 1 415.515 4.103 20 5 HIBDMN COC(=O)COc1ccc(CN[C@@H](C)c2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000474358744 889237460 /nfs/dbraw/zinc/23/74/60/889237460.db2.gz BIRZXVCRARTFOI-LBPRGKRZSA-N 0 1 412.364 4.016 20 5 HIBDMN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000475190578 890060577 /nfs/dbraw/zinc/06/05/77/890060577.db2.gz GPCYLPXVZKUUHY-LLVKDONJSA-N 0 1 424.383 4.021 20 5 HIBDMN COc1cc(CNCc2ccc3ncccc3c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000475353444 890278838 /nfs/dbraw/zinc/27/88/38/890278838.db2.gz WJEZYVBCYBJQEA-UHFFFAOYSA-N 0 1 403.385 4.085 20 5 HIBDMN O=C(CNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)N1Cc2ccccc2C1 ZINC000475499496 890408647 /nfs/dbraw/zinc/40/86/47/890408647.db2.gz WTPGGELHEXUWSP-UHFFFAOYSA-N 0 1 421.428 4.158 20 5 HIBDMN CC(C)(C)c1nc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3SCCO)cc2[nH]1 ZINC000475607588 890534867 /nfs/dbraw/zinc/53/48/67/890534867.db2.gz LOOMATPPIFOHQQ-UHFFFAOYSA-N 0 1 414.487 4.105 20 5 HIBDMN CC(C)(C)c1nc2ccc(NC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)cc2[nH]1 ZINC000476143586 891067094 /nfs/dbraw/zinc/06/70/94/891067094.db2.gz IIJSFENHURRJOC-UHFFFAOYSA-N 0 1 404.430 4.207 20 5 HIBDMN CCOc1ccc([C@@H](C)NCc2ccc(NC(=O)NC(C)C)cc2)cc1[N+](=O)[O-] ZINC000504894421 913625821 /nfs/dbraw/zinc/62/58/21/913625821.db2.gz LPBBPYIDQONBNP-OAHLLOKOSA-N 0 1 400.479 4.374 20 5 HIBDMN C[C@H](Sc1nc(Cc2ccccc2)n[nH]1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000478739185 894014515 /nfs/dbraw/zinc/01/45/15/894014515.db2.gz KNRJCHYIDUOPJD-LBPRGKRZSA-N 0 1 408.443 4.207 20 5 HIBDMN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccs1)N(C)C ZINC000478978296 894255298 /nfs/dbraw/zinc/25/52/98/894255298.db2.gz UPVCPDDQRJSQSB-MRXNPFEDSA-N 0 1 407.561 4.437 20 5 HIBDMN COc1cc(C(=O)Nc2cc(CN3CCSCC3)ccc2C)cc([N+](=O)[O-])c1C ZINC000479927905 895276435 /nfs/dbraw/zinc/27/64/35/895276435.db2.gz SIEGNZUENALRAJ-UHFFFAOYSA-N 0 1 415.515 4.021 20 5 HIBDMN COc1cc(CN[C@H](c2ccccc2)[C@H]2CCOC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000505502999 914191540 /nfs/dbraw/zinc/19/15/40/914191540.db2.gz JRVPJKQLZUVVOR-YCRPNKLZSA-N 0 1 422.428 4.115 20 5 HIBDMN COc1ccc(-c2ccc(CN3CC(C)(C)O[C@@]4(CCCOC4)C3)o2)c([N+](=O)[O-])c1 ZINC000482447350 898012242 /nfs/dbraw/zinc/01/22/42/898012242.db2.gz DXSCPIXRQGDPPT-QFIPXVFZSA-N 0 1 416.474 4.023 20 5 HIBDMN O=[N+]([O-])c1ccc2[nH]c(CN3CCC[C@H](c4nc(C5CCCCC5)n[nH]4)C3)nc2c1 ZINC000482697836 898297575 /nfs/dbraw/zinc/29/75/75/898297575.db2.gz LGVNBLQWLLIOJA-HNNXBMFYSA-N 0 1 409.494 4.017 20 5 HIBDMN O=[N+]([O-])c1ccc2[nH]c(CN3CCC[C@H](c4n[nH]c(C5CCCCC5)n4)C3)nc2c1 ZINC000482697836 898297584 /nfs/dbraw/zinc/29/75/84/898297584.db2.gz LGVNBLQWLLIOJA-HNNXBMFYSA-N 0 1 409.494 4.017 20 5 HIBDMN Cc1c([C@H](C)NCc2cccc(NC(=O)NCc3ccncc3)c2)cccc1[N+](=O)[O-] ZINC000482947497 898572985 /nfs/dbraw/zinc/57/29/85/898572985.db2.gz KLWQNIAUYKUVQR-KRWDZBQOSA-N 0 1 419.485 4.471 20 5 HIBDMN O=C(Nc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1Cl)c1ccco1 ZINC000505792472 914457290 /nfs/dbraw/zinc/45/72/90/914457290.db2.gz HLGWVQKOOWZOQO-UHFFFAOYSA-N 0 1 401.762 4.051 20 5 HIBDMN O=[N+]([O-])c1ccc2nc(NS(=O)(=O)Cc3ccccc3C(F)(F)F)ccc2c1 ZINC000485443966 900740224 /nfs/dbraw/zinc/74/02/24/900740224.db2.gz GNGOFJPEHTVHOY-UHFFFAOYSA-N 0 1 411.361 4.104 20 5 HIBDMN CSc1cccc(C(=O)N2CCC[C@@H](c3nnc(-c4ccccc4)[nH]3)C2)c1[N+](=O)[O-] ZINC000485498274 900788224 /nfs/dbraw/zinc/78/82/24/900788224.db2.gz ZFJAADCIWWKIGF-OAHLLOKOSA-N 0 1 423.498 4.122 20 5 HIBDMN Cc1cccc(CN(Cc2ccccn2)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)c1 ZINC000486325298 901501716 /nfs/dbraw/zinc/50/17/16/901501716.db2.gz UXKCOYWHCJJKAK-UHFFFAOYSA-N 0 1 401.426 4.017 20 5 HIBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000486583540 901723725 /nfs/dbraw/zinc/72/37/25/901723725.db2.gz FAIAOHBLZWDDBU-UHFFFAOYSA-N 0 1 422.485 4.467 20 5 HIBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CCOC2(CCCCC2)C1 ZINC000486665205 901784447 /nfs/dbraw/zinc/78/44/47/901784447.db2.gz OFOKABQVKYFLEU-LBPRGKRZSA-N 0 1 423.318 4.062 20 5 HIBDMN C[C@@H](N[C@@H](C)c1ccc(Oc2cccnc2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000487891866 902433078 /nfs/dbraw/zinc/43/30/78/902433078.db2.gz DGYLFAQONYRTMJ-JKSUJKDBSA-N 0 1 406.442 4.460 20 5 HIBDMN Cc1cc(C[C@H](C)NC(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)n[nH]1 ZINC000488952997 903094154 /nfs/dbraw/zinc/09/41/54/903094154.db2.gz XUICGUZWBKMSGU-AWEZNQCLSA-N 0 1 410.499 4.447 20 5 HIBDMN O=C(NCc1ccc(Oc2cccc(Cl)c2Cl)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000489607704 903495881 /nfs/dbraw/zinc/49/58/81/903495881.db2.gz VMBGAXHDXGBZGA-UHFFFAOYSA-N 0 1 407.213 4.347 20 5 HIBDMN Cc1c(CN2CCSCC2)cccc1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000490087427 903765023 /nfs/dbraw/zinc/76/50/23/903765023.db2.gz IRFOUQIHQJNHAK-UHFFFAOYSA-N 0 1 417.556 4.183 20 5 HIBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000490372830 903966791 /nfs/dbraw/zinc/96/67/91/903966791.db2.gz WWHLNJWMRLRYQS-HUUCEWRRSA-N 0 1 417.347 4.141 20 5 HIBDMN COc1ccc(COCc2cccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)c2)cc1 ZINC000506096447 914801524 /nfs/dbraw/zinc/80/15/24/914801524.db2.gz SJSPRCHQQKYTLT-UHFFFAOYSA-N 0 1 408.410 4.278 20 5 HIBDMN COc1cc(CN2CC[C@@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491227736 904490074 /nfs/dbraw/zinc/49/00/74/904490074.db2.gz HYMOSBNABHNGSA-CQSZACIVSA-N 0 1 410.392 4.376 20 5 HIBDMN CNC(=O)c1ccc(CN(C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 ZINC000506136131 914818276 /nfs/dbraw/zinc/81/82/76/914818276.db2.gz KTXIKQQVCQCNMZ-UHFFFAOYSA-N 0 1 413.861 4.500 20 5 HIBDMN O=C(N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506210242 914845693 /nfs/dbraw/zinc/84/56/93/914845693.db2.gz ZQOXPODNVFRBPO-MRXNPFEDSA-N 0 1 413.430 4.370 20 5 HIBDMN CC(C)c1nnc(-c2ccccc2NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[nH]1 ZINC000492692090 904888957 /nfs/dbraw/zinc/88/89/57/904888957.db2.gz OQRQZRGDGSMROB-UHFFFAOYSA-N 0 1 406.446 4.330 20 5 HIBDMN CCOc1cc(CN2CCC(Nc3cc(OC)cc(OC)c3)CC2)ccc1[N+](=O)[O-] ZINC000492724090 904894648 /nfs/dbraw/zinc/89/46/48/904894648.db2.gz RLSWPJNWQLJEFT-UHFFFAOYSA-N 0 1 415.490 4.087 20 5 HIBDMN COc1cc(CN[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)ccc1[N+](=O)[O-] ZINC000492758359 904899462 /nfs/dbraw/zinc/89/94/62/904899462.db2.gz UUMJAVBWPXJMJE-HNNXBMFYSA-N 0 1 406.442 4.102 20 5 HIBDMN O=C(C1CCCCC1)N1CC[C@@H](N[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000493299883 905078839 /nfs/dbraw/zinc/07/88/39/905078839.db2.gz BQSOVDRDCLLOPT-GGAORHGYSA-N 0 1 407.514 4.455 20 5 HIBDMN C[C@@H]1[C@@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CCN1Cc1ccccc1 ZINC000494070078 905408952 /nfs/dbraw/zinc/40/89/52/905408952.db2.gz UQQCMTQLDRKBQP-VGSWGCGISA-N 0 1 411.505 4.074 20 5 HIBDMN Cc1ccc(NC(=O)NC[C@H]2CCCN(C/C=C\c3ccccc3[N+](=O)[O-])C2)cc1 ZINC000512428054 921154600 /nfs/dbraw/zinc/15/46/00/921154600.db2.gz OWFXKGVUHBSNLX-NVAPOSRTSA-N 0 1 408.502 4.450 20 5 HIBDMN O=C(NC[C@@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1)Nc1cccc(F)c1 ZINC000512427043 921155103 /nfs/dbraw/zinc/15/51/03/921155103.db2.gz KDVNNYPEWTTXQW-JZLODUJNSA-N 0 1 412.465 4.281 20 5 HIBDMN CC(C)CN1Cc2cccc(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)c2C1 ZINC000494510549 905802137 /nfs/dbraw/zinc/80/21/37/905802137.db2.gz YAHAWADUCVMNSE-UHFFFAOYSA-N 0 1 405.458 4.004 20 5 HIBDMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NCc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000494808903 906008576 /nfs/dbraw/zinc/00/85/76/906008576.db2.gz MWFJKPCDKIQRQN-OAHLLOKOSA-N 0 1 420.916 4.380 20 5 HIBDMN O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000498141164 907663748 /nfs/dbraw/zinc/66/37/48/907663748.db2.gz VMWRNMVBHYGWHZ-SFHVURJKSA-N 0 1 422.510 4.113 20 5 HIBDMN COc1cccc([C@H]2[C@@H](NC(=O)Nc3cc([N+](=O)[O-])ccc3C)CCN2C2CC2)c1 ZINC000498386712 907873228 /nfs/dbraw/zinc/87/32/28/907873228.db2.gz KCIUNURHVNAQMK-FPOVZHCZSA-N 0 1 410.474 4.011 20 5 HIBDMN C[C@@H](NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C1(S(C)(=O)=O)CC1 ZINC000512865552 921365746 /nfs/dbraw/zinc/36/57/46/921365746.db2.gz UGCQELOMGDCUSA-CYBMUJFWSA-N 0 1 424.906 4.096 20 5 HIBDMN COc1cccc([C@H]2[C@H](NC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CCN2C2CC2)c1 ZINC000498561099 908020983 /nfs/dbraw/zinc/02/09/83/908020983.db2.gz QHRRPEZOPZWCDP-CTNGQTDRSA-N 0 1 410.474 4.011 20 5 HIBDMN CCCNC(=O)C1CCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000506690136 915369439 /nfs/dbraw/zinc/36/94/39/915369439.db2.gz YWHJCBDHFANVKO-UHFFFAOYSA-N 0 1 410.518 4.101 20 5 HIBDMN C[C@@H]1CSC[C@@H]1N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000507259867 916021532 /nfs/dbraw/zinc/02/15/32/916021532.db2.gz BXZFMQMGLJYYEF-UUWFMWQGSA-N 0 1 405.907 4.269 20 5 HIBDMN COCCSc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000507449721 916219491 /nfs/dbraw/zinc/21/94/91/916219491.db2.gz IMERXZDUSTZVMS-HZPDHXFCSA-N 0 1 417.531 4.320 20 5 HIBDMN COCCSc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000507462628 916230331 /nfs/dbraw/zinc/23/03/31/916230331.db2.gz FIVSGJNDEBXGOG-GJZGRUSLSA-N 0 1 403.504 4.011 20 5 HIBDMN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(N2CCCCCC2)cc1C ZINC000508067829 916890208 /nfs/dbraw/zinc/89/02/08/916890208.db2.gz KUKZLYCWTZHHIO-UHFFFAOYSA-N 0 1 419.503 4.093 20 5 HIBDMN Cc1ccc2nc([C@H]3CCCN(C(=O)CSc4ccc([N+](=O)[O-])cc4)C3)[nH]c2c1 ZINC000508231095 917048218 /nfs/dbraw/zinc/04/82/18/917048218.db2.gz GUUHPIOVVXFHQF-HNNXBMFYSA-N 0 1 410.499 4.278 20 5 HIBDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)CSc4ccc([N+](=O)[O-])cc4)C3)[nH]c2c1 ZINC000508231096 917050901 /nfs/dbraw/zinc/05/09/01/917050901.db2.gz GUUHPIOVVXFHQF-OAHLLOKOSA-N 0 1 410.499 4.278 20 5 HIBDMN CCCN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000508456269 917240699 /nfs/dbraw/zinc/24/06/99/917240699.db2.gz LNLSBSLGJNDTNO-HXUWFJFHSA-N 0 1 411.502 4.120 20 5 HIBDMN O=[N+]([O-])c1cc(F)c(CN2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)c(F)c1 ZINC000509007431 917761578 /nfs/dbraw/zinc/76/15/78/917761578.db2.gz HGWWBCXCCTXBDC-AWEZNQCLSA-N 0 1 405.449 4.418 20 5 HIBDMN O=[N+]([O-])c1cc(F)c(CN2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)c(F)c1 ZINC000509007431 917761592 /nfs/dbraw/zinc/76/15/92/917761592.db2.gz HGWWBCXCCTXBDC-AWEZNQCLSA-N 0 1 405.449 4.418 20 5 HIBDMN Cc1ccc(-c2cncc(F)c2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000509387063 918052730 /nfs/dbraw/zinc/05/27/30/918052730.db2.gz TYNNKDIFFKQTGU-UHFFFAOYSA-N 0 1 401.419 4.214 20 5 HIBDMN CCOC(=O)C(C)(C)C1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000510143872 918700581 /nfs/dbraw/zinc/70/05/81/918700581.db2.gz MSGNQEMEOBEZKO-UHFFFAOYSA-N 0 1 401.463 4.051 20 5 HIBDMN O=C(NC[C@@H](c1ccco1)N1CCCCC1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000510822373 919300376 /nfs/dbraw/zinc/30/03/76/919300376.db2.gz VCRSBDRXLBUBSY-HNNXBMFYSA-N 0 1 424.404 4.138 20 5 HIBDMN COc1ccccc1[C@@H](CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)N1CCCCC1 ZINC000511276766 919873524 /nfs/dbraw/zinc/87/35/24/919873524.db2.gz JLBPLYPKHALTIV-HXUWFJFHSA-N 0 1 412.490 4.261 20 5 HIBDMN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cccc(-c4nnc[nH]4)c3)cc2[N+](=O)[O-])C1 ZINC000512000715 920770014 /nfs/dbraw/zinc/77/00/14/920770014.db2.gz HHPTUENPXJMRNA-GJZGRUSLSA-N 0 1 420.473 4.115 20 5 HIBDMN NC(=O)C[C@H]1CCCCN1Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000512192250 920935092 /nfs/dbraw/zinc/93/50/92/920935092.db2.gz ATZCVRWIASIIQU-OAHLLOKOSA-N 0 1 403.866 4.270 20 5 HIBDMN COc1ccc([C@H](N[C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])c2nccn2C)cc1 ZINC000513788999 922117029 /nfs/dbraw/zinc/11/70/29/922117029.db2.gz BAUMNPFTOKNASX-AAIMPIBUSA-N 0 1 420.513 4.427 20 5 HIBDMN Cc1ccc([C@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)N2CCCC2)o1 ZINC000513989967 922312730 /nfs/dbraw/zinc/31/27/30/922312730.db2.gz QPCJMFMEAAVDCB-HNNXBMFYSA-N 0 1 424.404 4.056 20 5 HIBDMN COc1cc([C@H](C)NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)ccc1OCC(C)C ZINC000515033478 922886799 /nfs/dbraw/zinc/88/67/99/922886799.db2.gz HXUQSZGUPSMQPA-ZDUSSCGKSA-N 0 1 412.446 4.006 20 5 HIBDMN O=C(Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000517369411 924137958 /nfs/dbraw/zinc/13/79/58/924137958.db2.gz XMRJOUSFJUXURF-UHFFFAOYSA-N 0 1 416.372 4.406 20 5 HIBDMN C[C@@H](C(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000562395641 945069139 /nfs/dbraw/zinc/06/91/39/945069139.db2.gz URTFKPXBSOEGGA-QGZVFWFLSA-N 0 1 424.501 4.152 20 5 HIBDMN Cc1cc(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)ccc1[N+](=O)[O-] ZINC000518032766 926970254 /nfs/dbraw/zinc/97/02/54/926970254.db2.gz MDDBMWZFVIKTAN-UHFFFAOYSA-N 0 1 401.894 4.199 20 5 HIBDMN CCOc1cccc2cc([C@@H](C)NS(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])oc21 ZINC000518661740 927412929 /nfs/dbraw/zinc/41/29/29/927412929.db2.gz SRXOZKHMNYOCKR-LLVKDONJSA-N 0 1 424.862 4.433 20 5 HIBDMN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNCc2cccc(O)c2)cc1 ZINC000518780636 927487709 /nfs/dbraw/zinc/48/77/09/927487709.db2.gz ZWYDQTJIWWVHEW-UHFFFAOYSA-N 0 1 400.438 4.443 20 5 HIBDMN Cc1cc(CN2CCSCC2)ccc1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000521096417 928991552 /nfs/dbraw/zinc/99/15/52/928991552.db2.gz JODGQAUVKMWWEX-UHFFFAOYSA-N 0 1 405.907 4.358 20 5 HIBDMN COc1cc(CNc2ccc(C(=O)N3CCC[C@@H](C)C3)cc2C)cc([N+](=O)[O-])c1O ZINC000521919071 929562395 /nfs/dbraw/zinc/56/23/95/929562395.db2.gz VMAKAPSOICTDIM-CQSZACIVSA-N 0 1 413.474 4.102 20 5 HIBDMN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000524799212 929833535 /nfs/dbraw/zinc/83/35/35/929833535.db2.gz TUCOBOVMZMBTBX-FQEVSTJZSA-N 0 1 414.506 4.037 20 5 HIBDMN Cc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000530965443 930870222 /nfs/dbraw/zinc/87/02/22/930870222.db2.gz WMNLRGKECZMLTM-STQMWFEESA-N 0 1 411.380 4.480 20 5 HIBDMN O=C(Nc1ccc(Br)cc1O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000531426213 931052836 /nfs/dbraw/zinc/05/28/36/931052836.db2.gz DWXYOUJOWSBVEQ-UHFFFAOYSA-N 0 1 416.025 4.078 20 5 HIBDMN CCC[C@@H](NCc1ccccc1CS(=O)(=O)NC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000531703358 931165091 /nfs/dbraw/zinc/16/50/91/931165091.db2.gz ZTAFNUYPVUBBTJ-OAQYLSRUSA-N 0 1 419.547 4.054 20 5 HIBDMN CC[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1OCC(=O)N1CCCC1 ZINC000531955434 931263450 /nfs/dbraw/zinc/26/34/50/931263450.db2.gz DKPIBADTFXWYJJ-LAUBAEHRSA-N 0 1 411.502 4.398 20 5 HIBDMN CCN(CC)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000532911243 931690401 /nfs/dbraw/zinc/69/04/01/931690401.db2.gz UGPGSTQOCKZKCZ-KRWDZBQOSA-N 0 1 406.280 4.379 20 5 HIBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C1CC1)C1CC(c2ccccc2C)C1 ZINC000532978831 931723918 /nfs/dbraw/zinc/72/39/18/931723918.db2.gz LWZMHPWXAAAPJD-UHFFFAOYSA-N 0 1 409.486 4.261 20 5 HIBDMN COc1ccc(CN2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1[N+](=O)[O-] ZINC000533047643 931752056 /nfs/dbraw/zinc/75/20/56/931752056.db2.gz QYIVTYLSKXRVEC-INIZCTEOSA-N 0 1 412.421 4.172 20 5 HIBDMN Cc1c(NC(=O)CCN2CCCC[C@H]2c2nc3ccccc3n2C)cccc1[N+](=O)[O-] ZINC000533524475 931894377 /nfs/dbraw/zinc/89/43/77/931894377.db2.gz HUHWFPYJDGIDOU-NRFANRHFSA-N 0 1 421.501 4.346 20 5 HIBDMN COc1ccc(C)cc1NC(=O)[C@@H](NCCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000534700352 932671412 /nfs/dbraw/zinc/67/14/12/932671412.db2.gz HSKVYDMKAVASJU-QHCPKHFHSA-N 0 1 419.481 4.424 20 5 HIBDMN COc1ccc(C)cc1NC(=O)[C@H](NCCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000534700343 932672178 /nfs/dbraw/zinc/67/21/78/932672178.db2.gz HSKVYDMKAVASJU-HSZRJFAPSA-N 0 1 419.481 4.424 20 5 HIBDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)c4c[nH]c5cc([N+](=O)[O-])ccc45)C3)[nH]c2c1 ZINC000534936858 932846817 /nfs/dbraw/zinc/84/68/17/932846817.db2.gz LYNGUOBDBYSBEF-CQSZACIVSA-N 0 1 403.442 4.281 20 5 HIBDMN COc1cccc(NC(=O)[C@@H](NCCc2cccc([N+](=O)[O-])c2)c2ccccc2)c1 ZINC000535411084 933122462 /nfs/dbraw/zinc/12/24/62/933122462.db2.gz JKCQURBEIUJOIL-QFIPXVFZSA-N 0 1 405.454 4.116 20 5 HIBDMN COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cc1SC ZINC000535419388 933126932 /nfs/dbraw/zinc/12/69/32/933126932.db2.gz GLVOZSLBYNCLJL-UHFFFAOYSA-N 0 1 408.386 4.392 20 5 HIBDMN C[C@H](N[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000537346712 933728760 /nfs/dbraw/zinc/72/87/60/933728760.db2.gz BJQRRZUGIIXYBD-LIRRHRJNSA-N 0 1 421.419 4.455 20 5 HIBDMN COc1cc(CNc2ccc(Oc3ccc(C)cc3OC)nc2)cc([N+](=O)[O-])c1O ZINC000537505366 933797256 /nfs/dbraw/zinc/79/72/56/933797256.db2.gz LLEIJUSMBQTZCS-UHFFFAOYSA-N 0 1 411.414 4.425 20 5 HIBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)c2cccnc21 ZINC000562616511 945108482 /nfs/dbraw/zinc/10/84/82/945108482.db2.gz RLIBGTFCGNRTFS-UHFFFAOYSA-N 0 1 415.324 4.102 20 5 HIBDMN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000537549069 938320498 /nfs/dbraw/zinc/32/04/98/938320498.db2.gz POVAZDSQKRHGBM-AWEZNQCLSA-N 0 1 411.849 4.053 20 5 HIBDMN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC([C@H](O)C(F)(F)F)CC2)s1 ZINC000537649960 938346950 /nfs/dbraw/zinc/34/69/50/938346950.db2.gz RUCLUJYTXYPXKX-KRWDZBQOSA-N 0 1 400.422 4.459 20 5 HIBDMN C[C@H](N[C@@H](C)c1ccc(OCc2cccnc2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000538124644 938511217 /nfs/dbraw/zinc/51/12/17/938511217.db2.gz HIHQZERUBMGDTP-IRXDYDNUSA-N 0 1 420.469 4.247 20 5 HIBDMN CCCOc1ccc([C@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000538151111 938523157 /nfs/dbraw/zinc/52/31/57/938523157.db2.gz OGYUVPFLXJGXAU-ZDUSSCGKSA-N 0 1 421.881 4.335 20 5 HIBDMN C[C@@H](N[C@H](C)c1ccc(OCC(F)(F)F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000538163708 938531241 /nfs/dbraw/zinc/53/12/41/938531241.db2.gz QULAPAYFZZFQSD-CHWSQXEVSA-N 0 1 411.380 4.214 20 5 HIBDMN Cc1ccc([C@@H](C)NCC(=O)Nc2cc3c(cc2Cl)OCCCO3)cc1[N+](=O)[O-] ZINC000538280882 938582481 /nfs/dbraw/zinc/58/24/81/938582481.db2.gz XKDJVTOZWGPFFB-CYBMUJFWSA-N 0 1 419.865 4.007 20 5 HIBDMN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000539357651 938847627 /nfs/dbraw/zinc/84/76/27/938847627.db2.gz ABXLEUQWVZPXAP-IBGZPJMESA-N 0 1 413.543 4.442 20 5 HIBDMN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000539357652 938847664 /nfs/dbraw/zinc/84/76/64/938847664.db2.gz ABXLEUQWVZPXAP-LJQANCHMSA-N 0 1 413.543 4.442 20 5 HIBDMN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000539743566 938918565 /nfs/dbraw/zinc/91/85/65/938918565.db2.gz AYTBTKXNONEPJT-AWEZNQCLSA-N 0 1 415.519 4.111 20 5 HIBDMN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000539747662 938919862 /nfs/dbraw/zinc/91/98/62/938919862.db2.gz VUHSDXSFRFUDCU-AWEZNQCLSA-N 0 1 417.897 4.434 20 5 HIBDMN CN(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Cc1cccn1C ZINC000539818606 938942015 /nfs/dbraw/zinc/94/20/15/938942015.db2.gz ADFKTFZDUZCBAD-UHFFFAOYSA-N 0 1 401.470 4.418 20 5 HIBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[C@H]3[C@@H](O)C(F)(F)F)o2)c(Cl)c1 ZINC000539831334 938950746 /nfs/dbraw/zinc/95/07/46/938950746.db2.gz KNJJIXMECDLFTK-GOEBONIOSA-N 0 1 404.772 4.396 20 5 HIBDMN COc1cc(CN2CCCC[C@H](SC)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000539900720 938973187 /nfs/dbraw/zinc/97/31/87/938973187.db2.gz WPWRKPZSUUQRNX-ZDUSSCGKSA-N 0 1 408.442 4.262 20 5 HIBDMN NC(=O)c1ccc(CN[C@@H](c2ccc(Br)cc2)C2CCC2)c([N+](=O)[O-])c1 ZINC000540378367 939218194 /nfs/dbraw/zinc/21/81/94/939218194.db2.gz GZFDQWVNPVMGSJ-GOSISDBHSA-N 0 1 418.291 4.087 20 5 HIBDMN Cc1ccc([C@H](C)N[C@H](C)C(=O)Nc2nc3ccc(F)cc3s2)cc1[N+](=O)[O-] ZINC000540478443 939268880 /nfs/dbraw/zinc/26/88/80/939268880.db2.gz GRSPZTAKOQTUHN-NWDGAFQWSA-N 0 1 402.451 4.330 20 5 HIBDMN COc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1[N+](=O)[O-] ZINC000541089462 939455796 /nfs/dbraw/zinc/45/57/96/939455796.db2.gz ISMZLRMZUASHRI-UHFFFAOYSA-N 0 1 410.757 4.076 20 5 HIBDMN Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000541654442 939589830 /nfs/dbraw/zinc/58/98/30/939589830.db2.gz TXPPDPGUWNCAHN-LLVKDONJSA-N 0 1 414.462 4.116 20 5 HIBDMN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC3(CCOCC3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000541718734 939613944 /nfs/dbraw/zinc/61/39/44/939613944.db2.gz NZMNEFDFJAUPLD-XMSQKQJNSA-N 0 1 423.513 4.474 20 5 HIBDMN CC(C)(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 ZINC000542209333 939757570 /nfs/dbraw/zinc/75/75/70/939757570.db2.gz HXEYHCKCXAMKLJ-UHFFFAOYSA-N 0 1 417.314 4.200 20 5 HIBDMN CC(C)Sc1ccc([C@@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000542259293 939774311 /nfs/dbraw/zinc/77/43/11/939774311.db2.gz LUSYCXQLKDCFER-OAHLLOKOSA-N 0 1 408.545 4.220 20 5 HIBDMN CCc1ccc([C@H](NC2CCN(C(=O)c3ccco3)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542479146 939830198 /nfs/dbraw/zinc/83/01/98/939830198.db2.gz RPMIBUVFUMQBLZ-JOCHJYFZSA-N 0 1 423.469 4.327 20 5 HIBDMN CC[C@H](NCc1ccc([N+](=O)[O-])cc1C)c1ccccc1OCC(=O)N1CCCC1 ZINC000543630773 940142669 /nfs/dbraw/zinc/14/26/69/940142669.db2.gz VCTCDLGMFJQZQF-NRFANRHFSA-N 0 1 411.502 4.145 20 5 HIBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000543633357 940143195 /nfs/dbraw/zinc/14/31/95/940143195.db2.gz FHXCZJYQFODWDG-LJQANCHMSA-N 0 1 421.419 4.203 20 5 HIBDMN O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000544063003 940315223 /nfs/dbraw/zinc/31/52/23/940315223.db2.gz YLXLUUDGHTYNGH-UHFFFAOYSA-N 0 1 405.439 4.264 20 5 HIBDMN CC(C)(C(=O)Nc1nc(-c2ccccc2Cl)n[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000545165672 940553048 /nfs/dbraw/zinc/55/30/48/940553048.db2.gz PKQOEOFHCGIMMY-UHFFFAOYSA-N 0 1 403.801 4.089 20 5 HIBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(Sc3ccccc3)ns2)c1 ZINC000549037634 941147049 /nfs/dbraw/zinc/14/70/49/941147049.db2.gz SSOAZNFNCHQHAM-UHFFFAOYSA-N 0 1 402.457 4.249 20 5 HIBDMN CCS(=O)(=O)c1ccc([C@@H](C)N[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000551814765 941551177 /nfs/dbraw/zinc/55/11/77/941551177.db2.gz VCGUNXSJWFMXPJ-JLTOFOAXSA-N 0 1 402.516 4.462 20 5 HIBDMN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1ccncc1OCc1ccccc1 ZINC000552319838 941630728 /nfs/dbraw/zinc/63/07/28/941630728.db2.gz QMJQYGZDXFQFBQ-KRWDZBQOSA-N 0 1 420.469 4.076 20 5 HIBDMN O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H](CO)c3ccccc3Cl)cs2)c1 ZINC000554720198 942210529 /nfs/dbraw/zinc/21/05/29/942210529.db2.gz XMTXVGKERRFMDU-AWEZNQCLSA-N 0 1 403.891 4.237 20 5 HIBDMN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCN(c4ccc(Cl)cc4)CC3)o2)c1 ZINC000557029045 942998798 /nfs/dbraw/zinc/99/87/98/942998798.db2.gz MSPWDVVRNADLLD-UHFFFAOYSA-N 0 1 412.877 4.268 20 5 HIBDMN CCN1CC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000558896250 943729041 /nfs/dbraw/zinc/72/90/41/943729041.db2.gz IRYKLWCQRREIPP-OXJNMPFZSA-N 0 1 418.856 4.454 20 5 HIBDMN C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)c2ccccc21 ZINC000559836964 944063740 /nfs/dbraw/zinc/06/37/40/944063740.db2.gz MXTMACKRGIGSMC-CQSZACIVSA-N 0 1 402.447 4.012 20 5 HIBDMN O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000560811765 944340950 /nfs/dbraw/zinc/34/09/50/944340950.db2.gz YWLSRWMSTXOOIP-GOSISDBHSA-N 0 1 424.375 4.217 20 5 HIBDMN 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